4-methylpenta-2,4-dien-2-ol

C6H10O — CID 71359468

IUPAC4-methylpenta-2,4-dien-2-ol
SMILESC=C(C)C=C(C)O
InChIInChI=1S/C6H10O/c1-5(2)4-6(3)7/h4,7H,1H2,2-3H3
InChIKeyCUTMCVGFZLPFEV-UHFFFAOYSA-N
MW98.14 g/mol
LogP2.02
Rot. Bonds1

About 4-methylpenta-2,4-dien-2-ol

4-methylpenta-2,4-dien-2-ol (PubChem CID 71359468) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 4-methylpenta-2,4-dien-2-ol.

Molecular Properties

Compound Name4-methylpenta-2,4-dien-2-ol
PubChem CID71359468
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name4-methylpenta-2,4-dien-2-ol
SMILESC=C(C)C=C(C)O
InChIInChI=1S/C6H10O/c1-5(2)4-6(3)7/h4,7H,1H2,2-3H3
InChIKeyCUTMCVGFZLPFEV-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-2,4-dien-2-ol?
The IUPAC name of 4-methylpenta-2,4-dien-2-ol (CID 71359468) is 4-methylpenta-2,4-dien-2-ol.
What is the SMILES notation for 4-methylpenta-2,4-dien-2-ol?
The canonical SMILES for 4-methylpenta-2,4-dien-2-ol is C=C(C)C=C(C)O.
What is the InChIKey of 4-methylpenta-2,4-dien-2-ol?
The InChIKey is CUTMCVGFZLPFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4,7H,1H2,2-3H3.
What are the key properties of 4-methylpenta-2,4-dien-2-ol?
4-methylpenta-2,4-dien-2-ol has a molecular weight of 98.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-2,4-dien-2-ol is sourced from PubChem (CID 71359468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).