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chlorobis(3R,5S,7s)-adamantan-1-ylphosphane
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ChemBase ID:
144404
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Molecular Formular:
C20H30ClP
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Molecular Mass:
336.878961
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Monoisotopic Mass:
336.17736527
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SMILES and InChIs
SMILES:
C1[C@@H]2C[C@]3(C[C@@H](C2)C[C@@H]1C3)P(Cl)[C@@]12C[C@H]3C[C@@H](C1)C[C@H](C2)C3
Canonical SMILES:
ClP([C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
InChI:
InChI=1S/C20H30ClP/c21-22(19-7-13-1-14(8-19)3-15(2-13)9-19)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2/t13-,14+,15-,16-,17+,18-,19-,20-
InChIKey:
BVOJCPQWSXCCKU-RWTPHSKKSA-N
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Cite this record
CBID:144404 http://www.chembase.cn/molecule-144404.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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chlorobis(3R,5S,7s)-adamantan-1-ylphosphane
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IUPAC Traditional name
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chlorobis(3R,5S,7s)-adamantan-1-ylphosphane
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Synonyms
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Bis(1-adamantyl)phosphinous chloride
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Bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphinous chloride
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Diadamantylchlorophosphine
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Di(1-adamantyl)chlorophosphine
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Lipinski's Rule of Five
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true
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H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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4.209565
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LogD (pH = 7.4)
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4.213647
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Log P
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4.2137
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Molar Refractivity
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93.9633 cm3
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Polarizability
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37.724678 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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2
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent