nonadec-18-en-7-ol

C19H38O — CID 54362965

IUPACnonadec-18-en-7-ol
SMILESC=CCCCCCCCCCCC(O)CCCCCC
InChIInChI=1S/C19H38O/c1-3-5-7-9-10-11-12-13-14-16-18-19(20)17-15-8-6-4-2/h3,19-20H,1,4-18H2,2H3
InChIKeySAFRWVDBCKZMES-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.40
Rot. Bonds16

About nonadec-18-en-7-ol

nonadec-18-en-7-ol (PubChem CID 54362965) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is nonadec-18-en-7-ol.

Molecular Properties

Compound Namenonadec-18-en-7-ol
PubChem CID54362965
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Namenonadec-18-en-7-ol
SMILESC=CCCCCCCCCCCC(O)CCCCCC
InChIInChI=1S/C19H38O/c1-3-5-7-9-10-11-12-13-14-16-18-19(20)17-15-8-6-4-2/h3,19-20H,1,4-18H2,2H3
InChIKeySAFRWVDBCKZMES-UHFFFAOYSA-N
XLogP6.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9S)-heptadec-1-en-9-ol
CID 86644250
octadec-1-ene;propane-1,2,3-triol
CID 87523216
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
octacos-21-en-10-ol
CID 163011476
(7R)-hexatriacontan-7-ol
CID 88529159
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
nonacosane-7,20-diol
CID 174949468
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of nonadec-18-en-7-ol?
The IUPAC name of nonadec-18-en-7-ol (CID 54362965) is nonadec-18-en-7-ol.
What is the SMILES notation for nonadec-18-en-7-ol?
The canonical SMILES for nonadec-18-en-7-ol is C=CCCCCCCCCCCC(O)CCCCCC.
What is the InChIKey of nonadec-18-en-7-ol?
The InChIKey is SAFRWVDBCKZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-7-9-10-11-12-13-14-16-18-19(20)17-15-8-6-4-2/h3,19-20H,1,4-18H2,2H3.
What are the key properties of nonadec-18-en-7-ol?
nonadec-18-en-7-ol has a molecular weight of 282.51 g/mol, XLogP of 6.40, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-18-en-7-ol is sourced from PubChem (CID 54362965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).