4-cyclopropylbut-3-yn-2-ol

C7H10O — CID 118008485

IUPAC4-cyclopropylbut-3-yn-2-ol
SMILESCC(O)C#CC1CC1
InChIInChI=1S/C7H10O/c1-6(8)2-3-7-4-5-7/h6-8H,4-5H2,1H3
InChIKeyLJUCCQPFHZGXPG-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.78
Rot. Bonds

About 4-cyclopropylbut-3-yn-2-ol

4-cyclopropylbut-3-yn-2-ol (PubChem CID 118008485) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-cyclopropylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-cyclopropylbut-3-yn-2-ol
PubChem CID118008485
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name4-cyclopropylbut-3-yn-2-ol
SMILESCC(O)C#CC1CC1
InChIInChI=1S/C7H10O/c1-6(8)2-3-7-4-5-7/h6-8H,4-5H2,1H3
InChIKeyLJUCCQPFHZGXPG-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.78
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 4-cyclopropylbut-3-yn-2-ol?
The IUPAC name of 4-cyclopropylbut-3-yn-2-ol (CID 118008485) is 4-cyclopropylbut-3-yn-2-ol.
What is the SMILES notation for 4-cyclopropylbut-3-yn-2-ol?
The canonical SMILES for 4-cyclopropylbut-3-yn-2-ol is CC(O)C#CC1CC1.
What is the InChIKey of 4-cyclopropylbut-3-yn-2-ol?
The InChIKey is LJUCCQPFHZGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6(8)2-3-7-4-5-7/h6-8H,4-5H2,1H3.
What are the key properties of 4-cyclopropylbut-3-yn-2-ol?
4-cyclopropylbut-3-yn-2-ol has a molecular weight of 110.16 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylbut-3-yn-2-ol is sourced from PubChem (CID 118008485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).