2-methylpent-4-en-1-ol

C6H12O — CID 534258

IUPAC2-methylpent-4-en-1-ol
SMILESC=CCC(C)CO
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyCTHUAOGQNZSMMC-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.19
Rot. Bonds3

About 2-methylpent-4-en-1-ol

2-methylpent-4-en-1-ol (PubChem CID 534258) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name2-methylpent-4-en-1-ol
PubChem CID534258
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-methylpent-4-en-1-ol
SMILESC=CCC(C)CO
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyCTHUAOGQNZSMMC-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylpent-4-en-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

Related Compounds

CID 13181
CID 13181
CID 94292
CID 94292
CID 20929
CID 20929
CID 10749158
CID 10749158
CID 123525
CID 123525
CID 11159296
CID 11159296
CID 213085
CID 213085
CID 12288423
CID 12288423
CID 12579098
CID 12579098
CID 544701
CID 544701
CID 11115994
CID 11115994
CID 12187971
CID 12187971

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-4-en-1-ol?
The IUPAC name of 2-methylpent-4-en-1-ol (CID 534258) is 2-methylpent-4-en-1-ol.
What is the SMILES notation for 2-methylpent-4-en-1-ol?
The canonical SMILES for 2-methylpent-4-en-1-ol is C=CCC(C)CO.
What is the InChIKey of 2-methylpent-4-en-1-ol?
The InChIKey is CTHUAOGQNZSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-methylpent-4-en-1-ol?
2-methylpent-4-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-4-en-1-ol is sourced from PubChem (CID 534258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).