3-methylpenta-2,4-dien-1-ol

C6H10O — CID 534959

IUPAC3-methylpenta-2,4-dien-1-ol
SMILESC=CC(C)=CCO
InChIInChI=1S/C6H10O/c1-3-6(2)4-5-7/h3-4,7H,1,5H2,2H3
InChIKeyMOBKGOLFIBXIOP-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.11
Rot. Bonds2

About 3-methylpenta-2,4-dien-1-ol

3-methylpenta-2,4-dien-1-ol (PubChem CID 534959) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name3-methylpenta-2,4-dien-1-ol
PubChem CID534959
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methylpenta-2,4-dien-1-ol
SMILESC=CC(C)=CCO
InChIInChI=1S/C6H10O/c1-3-6(2)4-5-7/h3-4,7H,1,5H2,2H3
InChIKeyMOBKGOLFIBXIOP-UHFFFAOYSA-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 ≤ 50098.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylpenta-2,4-dien-1-ol?
The IUPAC name of 3-methylpenta-2,4-dien-1-ol (CID 534959) is 3-methylpenta-2,4-dien-1-ol.
What is the SMILES notation for 3-methylpenta-2,4-dien-1-ol?
The canonical SMILES for 3-methylpenta-2,4-dien-1-ol is C=CC(C)=CCO.
What is the InChIKey of 3-methylpenta-2,4-dien-1-ol?
The InChIKey is MOBKGOLFIBXIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3-4,7H,1,5H2,2H3.
What are the key properties of 3-methylpenta-2,4-dien-1-ol?
3-methylpenta-2,4-dien-1-ol has a molecular weight of 98.14 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 3-methylpenta-2,4-dien-1-ol is sourced from PubChem (CID 534959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).