(5S)-octadecan-5-ol

C18H38O — CID 98231191

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

About (5S)-octadecan-5-ol

(5S)-octadecan-5-ol (PubChem CID 98231191) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is (5S)-octadecan-5-ol.

Molecular Properties

Compound Name(5S)-octadecan-5-ol
PubChem CID98231191
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name(5S)-octadecan-5-ol
SMILESCCCCCCCCCCCCC[C@@H](O)CCCC
InChIInChI=1S/C18H38O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h18-19H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyQANCZOOABLPKBN-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

icosane-5,11-diol
CID 170722582
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
nonacosane-7,20-diol
CID 174949468
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
octadecane-8,11-diol
CID 101412726

Frequently Asked Questions

What is the IUPAC name of (5S)-octadecan-5-ol?
The IUPAC name of (5S)-octadecan-5-ol (CID 98231191) is (5S)-octadecan-5-ol.
What is the SMILES notation for (5S)-octadecan-5-ol?
The canonical SMILES for (5S)-octadecan-5-ol is CCCCCCCCCCCCC[C@@H](O)CCCC.
What is the InChIKey of (5S)-octadecan-5-ol?
The InChIKey is QANCZOOABLPKBN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H38O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h18-19H,3-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-octadecan-5-ol?
(5S)-octadecan-5-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 (5S)-octadecan-5-ol is sourced from PubChem (CID 98231191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).