1-chloropentane;tetracosane

C29H61Cl — CID 174427484

IUPAC1-chloropentane;tetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCl
InChIInChI=1S/C24H50.C5H11Cl/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6/h3-24H2,1-2H3;2-5H2,1H3
InChIKeySGVWNVWTGFSOLT-UHFFFAOYSA-N
MW445.26 g/mol
LogP12.02
Rot. Bonds24

About 1-chloropentane;tetracosane

1-chloropentane;tetracosane (PubChem CID 174427484) has the molecular formula C29H61Cl and a molecular weight of 445.26 g/mol. Its IUPAC name is 1-chloropentane;tetracosane.

Molecular Properties

Compound Name1-chloropentane;tetracosane
PubChem CID174427484
Molecular FormulaC29H61Cl
Molecular Weight445.26 g/mol
Exact Mass444.45
IUPAC Name1-chloropentane;tetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCl
InChIInChI=1S/C24H50.C5H11Cl/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6/h3-24H2,1-2H3;2-5H2,1H3
InChIKeySGVWNVWTGFSOLT-UHFFFAOYSA-N
XLogP12.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.26
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloropentane;tetracosane 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

1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
sodium;1-chlorododecane;chloride
CID 175001889
azane;1-chlorohexadecane;hydrate
CID 174801150
1-chloroicosane;phosphane;dihydrochloride
CID 173449794
sodium;carbanide;1-chlorododecane
CID 175514406
1-chloropentane;ethane
CID 175284520
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
1-chloroicosane;dichlorophosphane
CID 173449796

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;tetracosane?
The IUPAC name of 1-chloropentane;tetracosane (CID 174427484) is 1-chloropentane;tetracosane.
What is the SMILES notation for 1-chloropentane;tetracosane?
The canonical SMILES for 1-chloropentane;tetracosane is CCCCCCCCCCCCCCCCCCCCCCCC.CCCCCCl.
What is the InChIKey of 1-chloropentane;tetracosane?
The InChIKey is SGVWNVWTGFSOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50.C5H11Cl/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6/h3-24H2,1-2H3;2-5H2,1H3.
What are the key properties of 1-chloropentane;tetracosane?
1-chloropentane;tetracosane has a molecular weight of 445.26 g/mol, XLogP of 12.02, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;tetracosane is sourced from PubChem (CID 174427484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).