(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol

C10H16O — CID 89335245

IUPAC(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol
SMILESC/C=C\C=C(/C=C/C)C(C)O
InChIInChI=1S/C10H16O/c1-4-6-8-10(7-5-2)9(3)11/h4-9,11H,1-3H3/b6-4-,7-5+,10-8+
InChIKeyOXXVXCLEKNMCEX-NNTWCRICSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds3

About (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol

(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol (PubChem CID 89335245) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol
PubChem CID89335245
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol
SMILESC/C=C\C=C(/C=C/C)C(C)O
InChIInChI=1S/C10H16O/c1-4-6-8-10(7-5-2)9(3)11/h4-9,11H,1-3H3/b6-4-,7-5+,10-8+
InChIKeyOXXVXCLEKNMCEX-NNTWCRICSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol?
The IUPAC name of (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol (CID 89335245) is (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol?
The canonical SMILES for (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol is C/C=C\C=C(/C=C/C)C(C)O.
What is the InChIKey of (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol?
The InChIKey is OXXVXCLEKNMCEX-NNTWCRICSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-8-10(7-5-2)9(3)11/h4-9,11H,1-3H3/b6-4-,7-5+,10-8+.
What are the key properties of (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol?
(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-ol is sourced from PubChem (CID 89335245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).