1-chloropentane;cyclooctane

C13H27Cl — CID 174650189

IUPAC1-chloropentane;cyclooctane
SMILESC1CCCCCCC1.CCCCCCl
InChIInChI=1S/C8H16.C5H11Cl/c1-2-4-6-8-7-5-3-1;1-2-3-4-5-6/h1-8H2;2-5H2,1H3
InChIKeyJGSNRFMKEUUPED-UHFFFAOYSA-N
MW218.81 g/mol
LogP5.54
Rot. Bonds3

About 1-chloropentane;cyclooctane

1-chloropentane;cyclooctane (PubChem CID 174650189) has the molecular formula C13H27Cl and a molecular weight of 218.81 g/mol. Its IUPAC name is 1-chloropentane;cyclooctane.

Molecular Properties

Compound Name1-chloropentane;cyclooctane
PubChem CID174650189
Molecular FormulaC13H27Cl
Molecular Weight218.81 g/mol
Exact Mass218.18
IUPAC Name1-chloropentane;cyclooctane
SMILESC1CCCCCCC1.CCCCCCl
InChIInChI=1S/C8H16.C5H11Cl/c1-2-4-6-8-7-5-3-1;1-2-3-4-5-6/h1-8H2;2-5H2,1H3
InChIKeyJGSNRFMKEUUPED-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.81
LogP ≤ 55.54
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;cyclooctane 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;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
1-chloropentane;zirconium;octahydrate
CID 175544911
alumane;1-chloropentane;hydrate
CID 173313037
1-chloropentane;methylphosphane
CID 174465004
azane;1-chlorohexadecane;hydrate
CID 174801150
1-chloropentane;oxozinc
CID 175453062

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;cyclooctane?
The IUPAC name of 1-chloropentane;cyclooctane (CID 174650189) is 1-chloropentane;cyclooctane.
What is the SMILES notation for 1-chloropentane;cyclooctane?
The canonical SMILES for 1-chloropentane;cyclooctane is C1CCCCCCC1.CCCCCCl.
What is the InChIKey of 1-chloropentane;cyclooctane?
The InChIKey is JGSNRFMKEUUPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C5H11Cl/c1-2-4-6-8-7-5-3-1;1-2-3-4-5-6/h1-8H2;2-5H2,1H3.
What are the key properties of 1-chloropentane;cyclooctane?
1-chloropentane;cyclooctane has a molecular weight of 218.81 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;cyclooctane is sourced from PubChem (CID 174650189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).