(2Z)-4-methylpenta-2,4-dien-1-ol

C6H10O — CID 12628303

IUPAC(2Z)-4-methylpenta-2,4-dien-1-ol
SMILESC=C(C)/C=C\CO
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-4,7H,1,5H2,2H3/b4-3-
InChIKeyMOBNFYXTXZPNDI-ARJAWSKDSA-N
MW98.15 g/mol
LogP1.11
Rot. Bonds2

About (2Z)-4-methylpenta-2,4-dien-1-ol

(2Z)-4-methylpenta-2,4-dien-1-ol (PubChem CID 12628303) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is (2Z)-4-methylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z)-4-methylpenta-2,4-dien-1-ol
PubChem CID12628303
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name(2Z)-4-methylpenta-2,4-dien-1-ol
SMILESC=C(C)/C=C\CO
InChIInChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-4,7H,1,5H2,2H3/b4-3-
InChIKeyMOBNFYXTXZPNDI-ARJAWSKDSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-4-methylpenta-2,4-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 (2Z)-4-methylpenta-2,4-dien-1-ol?
The IUPAC name of (2Z)-4-methylpenta-2,4-dien-1-ol (CID 12628303) is (2Z)-4-methylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2Z)-4-methylpenta-2,4-dien-1-ol?
The canonical SMILES for (2Z)-4-methylpenta-2,4-dien-1-ol is C=C(C)/C=C\CO.
What is the InChIKey of (2Z)-4-methylpenta-2,4-dien-1-ol?
The InChIKey is MOBNFYXTXZPNDI-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-4,7H,1,5H2,2H3/b4-3-.
What are the key properties of (2Z)-4-methylpenta-2,4-dien-1-ol?
(2Z)-4-methylpenta-2,4-dien-1-ol has a molecular weight of 98.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methylpenta-2,4-dien-1-ol is sourced from PubChem (CID 12628303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).