2-cyclopropylpent-3-yn-2-ol

C8H12O — CID 12727412

IUPAC2-cyclopropylpent-3-yn-2-ol
SMILESCC#CC(C)(O)C1CC1
InChIInChI=1S/C8H12O/c1-3-6-8(2,9)7-4-5-7/h7,9H,4-5H2,1-2H3
InChIKeyQUMVOIUDZVCBDH-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.17
Rot. Bonds1

About 2-cyclopropylpent-3-yn-2-ol

2-cyclopropylpent-3-yn-2-ol (PubChem CID 12727412) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-cyclopropylpent-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclopropylpent-3-yn-2-ol
PubChem CID12727412
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-cyclopropylpent-3-yn-2-ol
SMILESCC#CC(C)(O)C1CC1
InChIInChI=1S/C8H12O/c1-3-6-8(2,9)7-4-5-7/h7,9H,4-5H2,1-2H3
InChIKeyQUMVOIUDZVCBDH-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.17
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-cyclopropylpent-3-yn-2-ol?
The IUPAC name of 2-cyclopropylpent-3-yn-2-ol (CID 12727412) is 2-cyclopropylpent-3-yn-2-ol.
What is the SMILES notation for 2-cyclopropylpent-3-yn-2-ol?
The canonical SMILES for 2-cyclopropylpent-3-yn-2-ol is CC#CC(C)(O)C1CC1.
What is the InChIKey of 2-cyclopropylpent-3-yn-2-ol?
The InChIKey is QUMVOIUDZVCBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-6-8(2,9)7-4-5-7/h7,9H,4-5H2,1-2H3.
What are the key properties of 2-cyclopropylpent-3-yn-2-ol?
2-cyclopropylpent-3-yn-2-ol has a molecular weight of 124.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpent-3-yn-2-ol is sourced from PubChem (CID 12727412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).