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MFCD00167840 molecular structure
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adamantan-1-yltrimethylsilane

ChemBase ID: 80423
Molecular Formular: C13H24Si
Molecular Mass: 208.41516
Monoisotopic Mass: 208.1647273
SMILES and InChIs

SMILES:
[Si](C12CC3CC(C1)CC(C2)C3)(C)(C)C
Canonical SMILES:
C[Si](C12CC3CC(C2)CC(C1)C3)(C)C
InChI:
InChI=1S/C13H24Si/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3
InChIKey:
OFWQUFUVGXLEME-UHFFFAOYSA-N

Cite this record

CBID:80423 http://www.chembase.cn/molecule-80423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
adamantan-1-yltrimethylsilane
IUPAC Traditional name
adamantan-1-yltrimethylsilane
Synonyms
1-adamantyl(trimethyl)silane
MDL Number
MFCD00167840
PubChem SID
162067543
PubChem CID
2776102

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR22934 external link Add to cart Please log in.
Data Source Data ID
PubChem 2776102 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6686  LogD (pH = 7.4) 3.6686 
Log P 3.6686  Molar Refractivity 57.9608 cm3
Polarizability 25.438993 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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