3-nonyl-3-propyldodec-1-yn-1-ol

C24H46O — CID 151368847

IUPAC3-nonyl-3-propyldodec-1-yn-1-ol
SMILESCCCCCCCCCC(C#CO)(CCC)CCCCCCCCC
InChIInChI=1S/C24H46O/c1-4-7-9-11-13-15-17-20-24(19-6-3,22-23-25)21-18-16-14-12-10-8-5-2/h25H,4-21H2,1-3H3
InChIKeyOPZTVEVKSDDWLH-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.39
Rot. Bonds18

About 3-nonyl-3-propyldodec-1-yn-1-ol

3-nonyl-3-propyldodec-1-yn-1-ol (PubChem CID 151368847) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 3-nonyl-3-propyldodec-1-yn-1-ol.

Molecular Properties

Compound Name3-nonyl-3-propyldodec-1-yn-1-ol
PubChem CID151368847
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name3-nonyl-3-propyldodec-1-yn-1-ol
SMILESCCCCCCCCCC(C#CO)(CCC)CCCCCCCCC
InChIInChI=1S/C24H46O/c1-4-7-9-11-13-15-17-20-24(19-6-3,22-23-25)21-18-16-14-12-10-8-5-2/h25H,4-21H2,1-3H3
InChIKeyOPZTVEVKSDDWLH-UHFFFAOYSA-N
XLogP8.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-nonyl-3-propyldodec-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

3,3,4,4-Tetramethyldec-1-yn-1-ol
CID 21951185
2,6,6-Trimethylundec-3-yn-2-ol
CID 22961919
4-Ethylhexadec-1-yn-1-ol
CID 87200075
3-Decan-2-yltetradec-1-yn-1-ol
CID 87312463
3,3,4-Trimethyldodec-1-yn-1-ol
CID 87560494
3-Hexadecyl-3-octadecylhenicos-1-yn-1-ol
CID 88650940
3-Decyltetradec-1-yn-1-ol
CID 140555038
12,12-Dimethyltridec-1-yn-1-ol
CID 140556520
5-(2-Hex-1-ynylperoxyethynyl)-5-(2-methylbutan-2-yl)nonane
CID 140602028
3-Hexadecyldocos-1-yn-1-ol
CID 145808493
3-Octyldodec-1-yn-1-ol
CID 146459716
3-Methyl-3-propylhept-1-yn-1-ol
CID 150195189

Frequently Asked Questions

What is the IUPAC name of 3-nonyl-3-propyldodec-1-yn-1-ol?
The IUPAC name of 3-nonyl-3-propyldodec-1-yn-1-ol (CID 151368847) is 3-nonyl-3-propyldodec-1-yn-1-ol.
What is the SMILES notation for 3-nonyl-3-propyldodec-1-yn-1-ol?
The canonical SMILES for 3-nonyl-3-propyldodec-1-yn-1-ol is CCCCCCCCCC(C#CO)(CCC)CCCCCCCCC.
What is the InChIKey of 3-nonyl-3-propyldodec-1-yn-1-ol?
The InChIKey is OPZTVEVKSDDWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-4-7-9-11-13-15-17-20-24(19-6-3,22-23-25)21-18-16-14-12-10-8-5-2/h25H,4-21H2,1-3H3.
What are the key properties of 3-nonyl-3-propyldodec-1-yn-1-ol?
3-nonyl-3-propyldodec-1-yn-1-ol has a molecular weight of 350.63 g/mol, XLogP of 8.39, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonyl-3-propyldodec-1-yn-1-ol is sourced from PubChem (CID 151368847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).