2-methylpent-3-yn-1-ol

C6H10O — CID 21426352

IUPAC2-methylpent-3-yn-1-ol
SMILESCC#CC(C)CO
InChIInChI=1S/C6H10O/c1-3-4-6(2)5-7/h6-7H,5H2,1-2H3
InChIKeyLIGYTNZGVIOQIG-UHFFFAOYSA-N
MW98.14 g/mol
LogP0.64
Rot. Bonds1

About 2-methylpent-3-yn-1-ol

2-methylpent-3-yn-1-ol (PubChem CID 21426352) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-methylpent-3-yn-1-ol.

Molecular Properties

Compound Name2-methylpent-3-yn-1-ol
PubChem CID21426352
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-methylpent-3-yn-1-ol
SMILESCC#CC(C)CO
InChIInChI=1S/C6H10O/c1-3-4-6(2)5-7/h6-7H,5H2,1-2H3
InChIKeyLIGYTNZGVIOQIG-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpent-3-yn-1-ol?
The IUPAC name of 2-methylpent-3-yn-1-ol (CID 21426352) is 2-methylpent-3-yn-1-ol.
What is the SMILES notation for 2-methylpent-3-yn-1-ol?
The canonical SMILES for 2-methylpent-3-yn-1-ol is CC#CC(C)CO.
What is the InChIKey of 2-methylpent-3-yn-1-ol?
The InChIKey is LIGYTNZGVIOQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-6(2)5-7/h6-7H,5H2,1-2H3.
What are the key properties of 2-methylpent-3-yn-1-ol?
2-methylpent-3-yn-1-ol has a molecular weight of 98.14 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-3-yn-1-ol is sourced from PubChem (CID 21426352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).