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83883-10-7 molecular structure
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N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

ChemBase ID: 127746
Molecular Formular: C16H25NO2
Molecular Mass: 263.3752
Monoisotopic Mass: 263.18852905
SMILES and InChIs

SMILES:
C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)(C)O
Canonical SMILES:
C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(O)(C)C
InChI:
InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)
InChIKey:
LHFKHAVGGJJQFF-UHFFFAOYSA-N

Cite this record

CBID:127746 http://www.chembase.cn/molecule-127746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
IUPAC Traditional name
hydroxy α sanshool
Synonyms
Hydroxy alpha sanshool
CAS Number
83883-10-7
PubChem SID
162222064
PubChem CID
10220912
10084135
Chemspider ID
39144022
Wikipedia Title
Hydroxy_alpha_sanshool

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.976153  H Acceptors
H Donor LogD (pH = 5.5) 2.8139088 
LogD (pH = 7.4) 2.8141468  Log P 2.8141499 
Molar Refractivity 85.1909 cm3 Polarizability 31.073193 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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