2-methylpent-1-en-3-yn-1-ol

C6H8O — CID 130122480

IUPAC2-methylpent-1-en-3-yn-1-ol
SMILESCC#CC(C)=CO
InChIInChI=1S/C6H8O/c1-3-4-6(2)5-7/h5,7H,1-2H3
InChIKeyLZGARAJPKRIFKV-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.47
Rot. Bonds

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

2-methylpent-1-en-3-yn-1-ol (PubChem CID 130122480) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methylpent-1-en-3-yn-1-ol.

Molecular Properties

Compound Name2-methylpent-1-en-3-yn-1-ol
PubChem CID130122480
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-methylpent-1-en-3-yn-1-ol
SMILESCC#CC(C)=CO
InChIInChI=1S/C6H8O/c1-3-4-6(2)5-7/h5,7H,1-2H3
InChIKeyLZGARAJPKRIFKV-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpent-1-en-3-yn-1-ol?
The IUPAC name of 2-methylpent-1-en-3-yn-1-ol (CID 130122480) is 2-methylpent-1-en-3-yn-1-ol.
What is the SMILES notation for 2-methylpent-1-en-3-yn-1-ol?
The canonical SMILES for 2-methylpent-1-en-3-yn-1-ol is CC#CC(C)=CO.
What is the InChIKey of 2-methylpent-1-en-3-yn-1-ol?
The InChIKey is LZGARAJPKRIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-4-6(2)5-7/h5,7H,1-2H3.
What are the key properties of 2-methylpent-1-en-3-yn-1-ol?
2-methylpent-1-en-3-yn-1-ol has a molecular weight of 96.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-1-en-3-yn-1-ol is sourced from PubChem (CID 130122480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).