heptadeca-1,3-dien-1-ol

C17H32O — CID 71340391

IUPACheptadeca-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCC=CC=CO
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h14-18H,2-13H2,1H3
InChIKeyBFFPJBRLHQYQJQ-UHFFFAOYSA-N
MW252.44 g/mol
LogP6.32
Rot. Bonds13

About heptadeca-1,3-dien-1-ol

heptadeca-1,3-dien-1-ol (PubChem CID 71340391) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is heptadeca-1,3-dien-1-ol.

Molecular Properties

Compound Nameheptadeca-1,3-dien-1-ol
PubChem CID71340391
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameheptadeca-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCC=CC=CO
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h14-18H,2-13H2,1H3
InChIKeyBFFPJBRLHQYQJQ-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of heptadeca-1,3-dien-1-ol?
The IUPAC name of heptadeca-1,3-dien-1-ol (CID 71340391) is heptadeca-1,3-dien-1-ol.
What is the SMILES notation for heptadeca-1,3-dien-1-ol?
The canonical SMILES for heptadeca-1,3-dien-1-ol is CCCCCCCCCCCCCC=CC=CO.
What is the InChIKey of heptadeca-1,3-dien-1-ol?
The InChIKey is BFFPJBRLHQYQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h14-18H,2-13H2,1H3.
What are the key properties of heptadeca-1,3-dien-1-ol?
heptadeca-1,3-dien-1-ol has a molecular weight of 252.44 g/mol, XLogP of 6.32, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,3-dien-1-ol is sourced from PubChem (CID 71340391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).