(2S)-octadecan-2-ol

C18H38O — CID 25022019

IUPAC(2S)-octadecan-2-ol
SMILESCCCCCCCCCCCCCCCC[C@H](C)O
InChIInChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18-19H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyOXGBCSQEKCRCHN-SFHVURJKSA-N
MW270.50 g/mol
LogP6.24
Rot. Bonds15

About (2S)-octadecan-2-ol

(2S)-octadecan-2-ol (PubChem CID 25022019) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is (2S)-octadecan-2-ol.

Molecular Properties

Compound Name(2S)-octadecan-2-ol
PubChem CID25022019
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name(2S)-octadecan-2-ol
SMILESCCCCCCCCCCCCCCCC[C@H](C)O
InChIInChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18-19H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyOXGBCSQEKCRCHN-SFHVURJKSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549
heptan-2-ol;hydroxylamine
CID 88625997
(2S)-heptan-2-ol;hydrochloride
CID 141119609
methanamine;octadecan-2-ol;hydrochloride
CID 173318083

Frequently Asked Questions

What is the IUPAC name of (2S)-octadecan-2-ol?
The IUPAC name of (2S)-octadecan-2-ol (CID 25022019) is (2S)-octadecan-2-ol.
What is the SMILES notation for (2S)-octadecan-2-ol?
The canonical SMILES for (2S)-octadecan-2-ol is CCCCCCCCCCCCCCCC[C@H](C)O.
What is the InChIKey of (2S)-octadecan-2-ol?
The InChIKey is OXGBCSQEKCRCHN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18-19H,3-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-octadecan-2-ol?
(2S)-octadecan-2-ol has a molecular weight of 270.50 g/mol, XLogP of 6.24, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-octadecan-2-ol is sourced from PubChem (CID 25022019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).