7-methylnonadec-8-en-7-ol

C20H40O — CID 170849065

IUPAC7-methylnonadec-8-en-7-ol
SMILESCCCCCCCCCCC=CC(C)(O)CCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-17-19-20(3,21)18-16-9-7-5-2/h17,19,21H,4-16,18H2,1-3H3
InChIKeyCCFOTXLSFHKCAK-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.79
Rot. Bonds15

About 7-methylnonadec-8-en-7-ol

7-methylnonadec-8-en-7-ol (PubChem CID 170849065) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 7-methylnonadec-8-en-7-ol.

Molecular Properties

Compound Name7-methylnonadec-8-en-7-ol
PubChem CID170849065
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name7-methylnonadec-8-en-7-ol
SMILESCCCCCCCCCCC=CC(C)(O)CCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-17-19-20(3,21)18-16-9-7-5-2/h17,19,21H,4-16,18H2,1-3H3
InChIKeyCCFOTXLSFHKCAK-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.79
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 7-methylnonadec-8-en-7-ol?
The IUPAC name of 7-methylnonadec-8-en-7-ol (CID 170849065) is 7-methylnonadec-8-en-7-ol.
What is the SMILES notation for 7-methylnonadec-8-en-7-ol?
The canonical SMILES for 7-methylnonadec-8-en-7-ol is CCCCCCCCCCC=CC(C)(O)CCCCCC.
What is the InChIKey of 7-methylnonadec-8-en-7-ol?
The InChIKey is CCFOTXLSFHKCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-17-19-20(3,21)18-16-9-7-5-2/h17,19,21H,4-16,18H2,1-3H3.
What are the key properties of 7-methylnonadec-8-en-7-ol?
7-methylnonadec-8-en-7-ol has a molecular weight of 296.54 g/mol, XLogP of 6.79, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnonadec-8-en-7-ol is sourced from PubChem (CID 170849065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).