2-methylbuta-2,3-dien-1-ol

C5H8O — CID 12502940

IUPAC2-methylbuta-2,3-dien-1-ol
SMILESC=C=C(C)CO
InChIInChI=1S/C5H8O/c1-3-5(2)4-6/h6H,1,4H2,2H3
InChIKeyXTUNHRCFLLTDJQ-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.71
Rot. Bonds1

About 2-methylbuta-2,3-dien-1-ol

2-methylbuta-2,3-dien-1-ol (PubChem CID 12502940) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-methylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-methylbuta-2,3-dien-1-ol
PubChem CID12502940
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name2-methylbuta-2,3-dien-1-ol
SMILESC=C=C(C)CO
InChIInChI=1S/C5H8O/c1-3-5(2)4-6/h6H,1,4H2,2H3
InChIKeyXTUNHRCFLLTDJQ-UHFFFAOYSA-N
XLogP0.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methylbuta-2,3-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 2-methylbuta-2,3-dien-1-ol?
The IUPAC name of 2-methylbuta-2,3-dien-1-ol (CID 12502940) is 2-methylbuta-2,3-dien-1-ol.
What is the SMILES notation for 2-methylbuta-2,3-dien-1-ol?
The canonical SMILES for 2-methylbuta-2,3-dien-1-ol is C=C=C(C)CO.
What is the InChIKey of 2-methylbuta-2,3-dien-1-ol?
The InChIKey is XTUNHRCFLLTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-3-5(2)4-6/h6H,1,4H2,2H3.
What are the key properties of 2-methylbuta-2,3-dien-1-ol?
2-methylbuta-2,3-dien-1-ol has a molecular weight of 84.12 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbuta-2,3-dien-1-ol is sourced from PubChem (CID 12502940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).