2-methylidenepent-3-yn-1-ol

C6H8O — CID 119097406

IUPAC2-methylidenepent-3-yn-1-ol
SMILESC=C(C#CC)CO
InChIInChI=1S/C6H8O/c1-3-4-6(2)5-7/h7H,2,5H2,1H3
InChIKeyKNSJZUNJRNNVMD-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.56
Rot. Bonds1

About 2-methylidenepent-3-yn-1-ol

2-methylidenepent-3-yn-1-ol (PubChem CID 119097406) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methylidenepent-3-yn-1-ol.

Molecular Properties

Compound Name2-methylidenepent-3-yn-1-ol
PubChem CID119097406
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-methylidenepent-3-yn-1-ol
SMILESC=C(C#CC)CO
InChIInChI=1S/C6H8O/c1-3-4-6(2)5-7/h7H,2,5H2,1H3
InChIKeyKNSJZUNJRNNVMD-UHFFFAOYSA-N
XLogP0.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.56
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-methylidenepent-3-yn-1-ol?
The IUPAC name of 2-methylidenepent-3-yn-1-ol (CID 119097406) is 2-methylidenepent-3-yn-1-ol.
What is the SMILES notation for 2-methylidenepent-3-yn-1-ol?
The canonical SMILES for 2-methylidenepent-3-yn-1-ol is C=C(C#CC)CO.
What is the InChIKey of 2-methylidenepent-3-yn-1-ol?
The InChIKey is KNSJZUNJRNNVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-4-6(2)5-7/h7H,2,5H2,1H3.
What are the key properties of 2-methylidenepent-3-yn-1-ol?
2-methylidenepent-3-yn-1-ol has a molecular weight of 96.13 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepent-3-yn-1-ol is sourced from PubChem (CID 119097406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).