(4S)-nonadecan-4-ol

C19H40O — CID 89325355

IUPAC(4S)-nonadecan-4-ol
SMILESCCCCCCCCCCCCCCC[C@@H](O)CCC
InChIInChI=1S/C19H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h19-20H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyJFSDVDBEFPZPRO-IBGZPJMESA-N
MW284.53 g/mol
LogP6.63
Rot. Bonds16

About (4S)-nonadecan-4-ol

(4S)-nonadecan-4-ol (PubChem CID 89325355) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is (4S)-nonadecan-4-ol.

Molecular Properties

Compound Name(4S)-nonadecan-4-ol
PubChem CID89325355
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name(4S)-nonadecan-4-ol
SMILESCCCCCCCCCCCCCCC[C@@H](O)CCC
InChIInChI=1S/C19H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h19-20H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyJFSDVDBEFPZPRO-IBGZPJMESA-N
XLogP6.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.63
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

octacosan-4-ol
CID 54117167
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528

Frequently Asked Questions

What is the IUPAC name of (4S)-nonadecan-4-ol?
The IUPAC name of (4S)-nonadecan-4-ol (CID 89325355) is (4S)-nonadecan-4-ol.
What is the SMILES notation for (4S)-nonadecan-4-ol?
The canonical SMILES for (4S)-nonadecan-4-ol is CCCCCCCCCCCCCCC[C@@H](O)CCC.
What is the InChIKey of (4S)-nonadecan-4-ol?
The InChIKey is JFSDVDBEFPZPRO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-19(20)17-4-2/h19-20H,3-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (4S)-nonadecan-4-ol?
(4S)-nonadecan-4-ol has a molecular weight of 284.53 g/mol, XLogP of 6.63, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-nonadecan-4-ol is sourced from PubChem (CID 89325355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).