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3155-43-9 molecular structure
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octadecane-1,18-diol

ChemBase ID: 304740
Molecular Formular: C18H38O2
Molecular Mass: 286.49312
Monoisotopic Mass: 286.28718046
SMILES and InChIs

SMILES:
OCCCCCCCCCCCCCCCCCCO
Canonical SMILES:
OCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C18H38O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h19-20H,1-18H2
InChIKey:
LUUFSCNUZAYHAT-UHFFFAOYSA-N

Cite this record

CBID:304740 http://www.chembase.cn/molecule-304740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octadecane-1,18-diol
IUPAC Traditional name
octadecane-1,18-diol
Synonyms
1,18-Octadecanediol
CAS Number
3155-43-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01000
Data Source Data ID Price
BioBioPha
BBP01000 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 5.5926046 
LogD (pH = 7.4) 5.5926046  Log P 5.5926046 
Molar Refractivity 88.4776 cm3 Polarizability 35.138275 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds 17 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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