(9R)-octadecane-1,9-diol

C18H38O2 — CID 10968142

IUPAC(9R)-octadecane-1,9-diol
SMILESCCCCCCCCC[C@@H](O)CCCCCCCCO
InChIInChI=1S/C18H38O2/c1-2-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19/h18-20H,2-17H2,1H3/t18-/m1/s1
InChIKeyGUQPPNZGDSQJGT-GOSISDBHSA-N
MW286.50 g/mol
LogP5.21
Rot. Bonds16

About (9R)-octadecane-1,9-diol

(9R)-octadecane-1,9-diol (PubChem CID 10968142) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is (9R)-octadecane-1,9-diol.

Molecular Properties

Compound Name(9R)-octadecane-1,9-diol
PubChem CID10968142
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name(9R)-octadecane-1,9-diol
SMILESCCCCCCCCC[C@@H](O)CCCCCCCCO
InChIInChI=1S/C18H38O2/c1-2-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19/h18-20H,2-17H2,1H3/t18-/m1/s1
InChIKeyGUQPPNZGDSQJGT-GOSISDBHSA-N
XLogP5.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
icosane-1,9-diol
CID 22758044
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922
icosane-1,11-diol
CID 56976881
(4S)-undecane-1,4-diol
CID 98092447
decane-1,10-diol;nonane-1,2-diol
CID 174889231
tetradecane-1,11-diol
CID 11390599
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of (9R)-octadecane-1,9-diol?
The IUPAC name of (9R)-octadecane-1,9-diol (CID 10968142) is (9R)-octadecane-1,9-diol.
What is the SMILES notation for (9R)-octadecane-1,9-diol?
The canonical SMILES for (9R)-octadecane-1,9-diol is CCCCCCCCC[C@@H](O)CCCCCCCCO.
What is the InChIKey of (9R)-octadecane-1,9-diol?
The InChIKey is GUQPPNZGDSQJGT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H38O2/c1-2-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19/h18-20H,2-17H2,1H3/t18-/m1/s1.
What are the key properties of (9R)-octadecane-1,9-diol?
(9R)-octadecane-1,9-diol has a molecular weight of 286.50 g/mol, XLogP of 5.21, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-octadecane-1,9-diol is sourced from PubChem (CID 10968142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).