3-methylpent-1-yn-3-ol

C6H10O — CID 6494

💊View drug profile → methylpentynol
IUPAC3-methylpent-1-yn-3-ol
SMILESC#CC(C)(O)CC
InChIInChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3
InChIKeyQXLPXWSKPNOQLE-UHFFFAOYSA-N
MW98.14 g/mol
LogP0.78
Rot. Bonds1

About 3-methylpent-1-yn-3-ol

3-methylpent-1-yn-3-ol (PubChem CID 6494) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name3-methylpent-1-yn-3-ol
PubChem CID6494
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methylpent-1-yn-3-ol
SMILESC#CC(C)(O)CC
InChIInChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3
InChIKeyQXLPXWSKPNOQLE-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methylpent-1-yn-3-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

2-Methyl-3-butyn-2-ol
CID 8258
3,4-Dimethyl-1-pentyn-3-ol
CID 95483
3-Ethyl-1-pentyn-3-ol
CID 22698
2-Methylpent-4-yn-2-ol
CID 234735
2-Methyl-3-hexyn-2-ol
CID 4066093
3-Methyl-1-hexyn-3-ol
CID 20347
3,4,4-Trimethyl-1-pentyn-3-ol
CID 136777
3-Pentyn-2-ol, 3-methyl-
CID 136375
2-Methylhex-5-yn-2-ol
CID 10996988
3-Methyl-4-hexyn-3-ol
CID 522086
3-Methylhex-5-yn-3-ol
CID 10920474
2,3-Dimethylpent-4-yne-2,3-diol
CID 18000629

Frequently Asked Questions

What is the IUPAC name of 3-methylpent-1-yn-3-ol?
The IUPAC name of 3-methylpent-1-yn-3-ol (CID 6494) is 3-methylpent-1-yn-3-ol.
What is the SMILES notation for 3-methylpent-1-yn-3-ol?
The canonical SMILES for 3-methylpent-1-yn-3-ol is C#CC(C)(O)CC.
What is the InChIKey of 3-methylpent-1-yn-3-ol?
The InChIKey is QXLPXWSKPNOQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3.
What are the key properties of 3-methylpent-1-yn-3-ol?
3-methylpent-1-yn-3-ol has a molecular weight of 98.14 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-1-yn-3-ol is sourced from PubChem (CID 6494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).