nonadec-1-en-3-ol

C19H38O — CID 10891332

IUPACnonadec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h4,19-20H,2-3,5-18H2,1H3
InChIKeySEKYOSGJDRWWMK-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.40
Rot. Bonds16

About nonadec-1-en-3-ol

nonadec-1-en-3-ol (PubChem CID 10891332) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is nonadec-1-en-3-ol.

Molecular Properties

Compound Namenonadec-1-en-3-ol
PubChem CID10891332
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Namenonadec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h4,19-20H,2-3,5-18H2,1H3
InChIKeySEKYOSGJDRWWMK-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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Frequently Asked Questions

What is the IUPAC name of nonadec-1-en-3-ol?
The IUPAC name of nonadec-1-en-3-ol (CID 10891332) is nonadec-1-en-3-ol.
What is the SMILES notation for nonadec-1-en-3-ol?
The canonical SMILES for nonadec-1-en-3-ol is C=CC(O)CCCCCCCCCCCCCCCC.
What is the InChIKey of nonadec-1-en-3-ol?
The InChIKey is SEKYOSGJDRWWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h4,19-20H,2-3,5-18H2,1H3.
What are the key properties of nonadec-1-en-3-ol?
nonadec-1-en-3-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-1-en-3-ol is sourced from PubChem (CID 10891332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).