2-cyclopropylpent-4-yn-2-ol

C8H12O — CID 10654223

IUPAC2-cyclopropylpent-4-yn-2-ol
SMILESC#CCC(C)(O)C1CC1
InChIInChI=1S/C8H12O/c1-3-6-8(2,9)7-4-5-7/h1,7,9H,4-6H2,2H3
InChIKeyACLUVCXYRQYQHX-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.17
Rot. Bonds2

About 2-cyclopropylpent-4-yn-2-ol

2-cyclopropylpent-4-yn-2-ol (PubChem CID 10654223) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-cyclopropylpent-4-yn-2-ol.

Molecular Properties

Compound Name2-cyclopropylpent-4-yn-2-ol
PubChem CID10654223
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-cyclopropylpent-4-yn-2-ol
SMILESC#CCC(C)(O)C1CC1
InChIInChI=1S/C8H12O/c1-3-6-8(2,9)7-4-5-7/h1,7,9H,4-6H2,2H3
InChIKeyACLUVCXYRQYQHX-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-4-yn-2-ol?
The IUPAC name of 2-cyclopropylpent-4-yn-2-ol (CID 10654223) is 2-cyclopropylpent-4-yn-2-ol.
What is the SMILES notation for 2-cyclopropylpent-4-yn-2-ol?
The canonical SMILES for 2-cyclopropylpent-4-yn-2-ol is C#CCC(C)(O)C1CC1.
What is the InChIKey of 2-cyclopropylpent-4-yn-2-ol?
The InChIKey is ACLUVCXYRQYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-6-8(2,9)7-4-5-7/h1,7,9H,4-6H2,2H3.
What are the key properties of 2-cyclopropylpent-4-yn-2-ol?
2-cyclopropylpent-4-yn-2-ol has a molecular weight of 124.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpent-4-yn-2-ol is sourced from PubChem (CID 10654223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).