(3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol

C10H16O — CID 88961777

IUPAC(3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol
SMILESC=C/C(C)=C\C(=C/C)CCO
InChIInChI=1S/C10H16O/c1-4-9(3)8-10(5-2)6-7-11/h4-5,8,11H,1,6-7H2,2-3H3/b9-8-,10-5-
InChIKeyHEXRVSTWIVJYEW-FJPHMEQPSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds4

About (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol

(3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol (PubChem CID 88961777) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol
PubChem CID88961777
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol
SMILESC=C/C(C)=C\C(=C/C)CCO
InChIInChI=1S/C10H16O/c1-4-9(3)8-10(5-2)6-7-11/h4-5,8,11H,1,6-7H2,2-3H3/b9-8-,10-5-
InChIKeyHEXRVSTWIVJYEW-FJPHMEQPSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-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 (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol?
The IUPAC name of (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol (CID 88961777) is (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol?
The canonical SMILES for (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol is C=C/C(C)=C\C(=C/C)CCO.
What is the InChIKey of (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol?
The InChIKey is HEXRVSTWIVJYEW-FJPHMEQPSA-N. The full InChI is InChI=1S/C10H16O/c1-4-9(3)8-10(5-2)6-7-11/h4-5,8,11H,1,6-7H2,2-3H3/b9-8-,10-5-.
What are the key properties of (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol?
(3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol is sourced from PubChem (CID 88961777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).