3-propylhept-1-yn-1-ol

C10H18O — CID 139821030

IUPAC3-propylhept-1-yn-1-ol
SMILESCCCCC(C#CO)CCC
InChIInChI=1S/C10H18O/c1-3-5-7-10(6-4-2)8-9-11/h10-11H,3-7H2,1-2H3
InChIKeyUDANCPJWDNMJMZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.93
Rot. Bonds5

About 3-propylhept-1-yn-1-ol

3-propylhept-1-yn-1-ol (PubChem CID 139821030) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-propylhept-1-yn-1-ol.

Molecular Properties

Compound Name3-propylhept-1-yn-1-ol
PubChem CID139821030
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-propylhept-1-yn-1-ol
SMILESCCCCC(C#CO)CCC
InChIInChI=1S/C10H18O/c1-3-5-7-10(6-4-2)8-9-11/h10-11H,3-7H2,1-2H3
InChIKeyUDANCPJWDNMJMZ-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-propylhept-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

Butylpentynol
CID 129819191
5-Methylnon-2-yn-1-ol
CID 13598005
Cyclohexyl-hexin-ol
CID 129634543
Cyclopentyl-pentin-ol
CID 129634544
Methyl-nonin-ol
CID 129634552
Cyclohexyl-pentin-ol
CID 129634554
Methyl-decin-ol
CID 129634558
3,7,11-Trimethyldodec-1-yn-1-ol
CID 15894901
3-Cyclohexylbut-1-yn-1-ol
CID 18801125
3,7-Dimethyloct-1-yn-1-ol
CID 20441941
Isononynol
CID 20565036
3-Ethyloct-1-yn-1-ol
CID 21116884

Frequently Asked Questions

What is the IUPAC name of 3-propylhept-1-yn-1-ol?
The IUPAC name of 3-propylhept-1-yn-1-ol (CID 139821030) is 3-propylhept-1-yn-1-ol.
What is the SMILES notation for 3-propylhept-1-yn-1-ol?
The canonical SMILES for 3-propylhept-1-yn-1-ol is CCCCC(C#CO)CCC.
What is the InChIKey of 3-propylhept-1-yn-1-ol?
The InChIKey is UDANCPJWDNMJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-7-10(6-4-2)8-9-11/h10-11H,3-7H2,1-2H3.
What are the key properties of 3-propylhept-1-yn-1-ol?
3-propylhept-1-yn-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhept-1-yn-1-ol is sourced from PubChem (CID 139821030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).