3-ethylpent-1-yn-1-ol

C7H12O — CID 141179070

IUPAC3-ethylpent-1-yn-1-ol
SMILESCCC(C#CO)CC
InChIInChI=1S/C7H12O/c1-3-7(4-2)5-6-8/h7-8H,3-4H2,1-2H3
InChIKeyIGVUPVHYENAEDU-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.76
Rot. Bonds2

About 3-ethylpent-1-yn-1-ol

3-ethylpent-1-yn-1-ol (PubChem CID 141179070) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-ethylpent-1-yn-1-ol.

Molecular Properties

Compound Name3-ethylpent-1-yn-1-ol
PubChem CID141179070
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-ethylpent-1-yn-1-ol
SMILESCCC(C#CO)CC
InChIInChI=1S/C7H12O/c1-3-7(4-2)5-6-8/h7-8H,3-4H2,1-2H3
InChIKeyIGVUPVHYENAEDU-UHFFFAOYSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-ethylpent-1-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hept-1-yne-1,3-diol
CID 18401946
3-[2-(4-aminobut-3-yn-2-yloxy)ethoxy]but-1-yn-1-ol
CID 166874714
3-[ethyl(methyl)amino]but-1-yn-1-ol
CID 154330111
(3R)-hept-4-yn-3-ol
CID 7010447
4-ethylhept-5-yn-1-ol
CID 130152282
(4S)-hex-2-yne-1,4-diol
CID 102369829
1-bromo-3-ethylhept-1-yne
CID 170897896
2-ethyl-N-iodopent-3-yn-1-amine
CID 141086780
but-1-yn-1-ol;hydrochloride
CID 71773502
but-1-yn-1-ol;hydrate
CID 155679812
2-ethylbut-3-yne-1-thiol
CID 57216004
6-ethyloctadec-4-yne-3,3-diol
CID 150851053

Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-1-yn-1-ol?
The IUPAC name of 3-ethylpent-1-yn-1-ol (CID 141179070) is 3-ethylpent-1-yn-1-ol.
What is the SMILES notation for 3-ethylpent-1-yn-1-ol?
The canonical SMILES for 3-ethylpent-1-yn-1-ol is CCC(C#CO)CC.
What is the InChIKey of 3-ethylpent-1-yn-1-ol?
The InChIKey is IGVUPVHYENAEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7(4-2)5-6-8/h7-8H,3-4H2,1-2H3.
What are the key properties of 3-ethylpent-1-yn-1-ol?
3-ethylpent-1-yn-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-1-yn-1-ol is sourced from PubChem (CID 141179070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).