3-cyclopropyl-4-methylpent-1-yn-3-ol

C9H14O — CID 151556372

IUPAC3-cyclopropyl-4-methylpent-1-yn-3-ol
SMILESC#CC(O)(C(C)C)C1CC1
InChIInChI=1S/C9H14O/c1-4-9(10,7(2)3)8-5-6-8/h1,7-8,10H,5-6H2,2-3H3
InChIKeyQBOIAWXQLXVYRW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.42
Rot. Bonds2

About 3-cyclopropyl-4-methylpent-1-yn-3-ol

3-cyclopropyl-4-methylpent-1-yn-3-ol (PubChem CID 151556372) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-cyclopropyl-4-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-4-methylpent-1-yn-3-ol
PubChem CID151556372
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-cyclopropyl-4-methylpent-1-yn-3-ol
SMILESC#CC(O)(C(C)C)C1CC1
InChIInChI=1S/C9H14O/c1-4-9(10,7(2)3)8-5-6-8/h1,7-8,10H,5-6H2,2-3H3
InChIKeyQBOIAWXQLXVYRW-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.42
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 3-cyclopropyl-4-methylpent-1-yn-3-ol?
The IUPAC name of 3-cyclopropyl-4-methylpent-1-yn-3-ol (CID 151556372) is 3-cyclopropyl-4-methylpent-1-yn-3-ol.
What is the SMILES notation for 3-cyclopropyl-4-methylpent-1-yn-3-ol?
The canonical SMILES for 3-cyclopropyl-4-methylpent-1-yn-3-ol is C#CC(O)(C(C)C)C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methylpent-1-yn-3-ol?
The InChIKey is QBOIAWXQLXVYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-9(10,7(2)3)8-5-6-8/h1,7-8,10H,5-6H2,2-3H3.
What are the key properties of 3-cyclopropyl-4-methylpent-1-yn-3-ol?
3-cyclopropyl-4-methylpent-1-yn-3-ol has a molecular weight of 138.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methylpent-1-yn-3-ol is sourced from PubChem (CID 151556372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).