(4R)-4-chloro-4-methyloctane

C9H19Cl — CID 129374949

IUPAC(4R)-4-chloro-4-methyloctane
SMILESCCCC[C@](C)(Cl)CCC
InChIInChI=1S/C9H19Cl/c1-4-6-8-9(3,10)7-5-2/h4-8H2,1-3H3/t9-/m1/s1
InChIKeyUFUKXCKHTRKNJD-SECBINFHSA-N
MW162.70 g/mol
LogP3.97
Rot. Bonds5

About (4R)-4-chloro-4-methyloctane

(4R)-4-chloro-4-methyloctane (PubChem CID 129374949) has the molecular formula C9H19Cl and a molecular weight of 162.70 g/mol. Its IUPAC name is (4R)-4-chloro-4-methyloctane.

Molecular Properties

Compound Name(4R)-4-chloro-4-methyloctane
PubChem CID129374949
Molecular FormulaC9H19Cl
Molecular Weight162.70 g/mol
Exact Mass162.12
IUPAC Name(4R)-4-chloro-4-methyloctane
SMILESCCCC[C@](C)(Cl)CCC
InChIInChI=1S/C9H19Cl/c1-4-6-8-9(3,10)7-5-2/h4-8H2,1-3H3/t9-/m1/s1
InChIKeyUFUKXCKHTRKNJD-SECBINFHSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.70
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4R)-4-chloro-4-methyloctane 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

2,6-dichloro-2,6-dimethyldecane
CID 139809322
3-chloro-3-methyloctadecane
CID 158282272
2,2,3,3-tetrachloroheptane
CID 54246303
2-chloro-2-methylhexane;cyclobutane
CID 175373010
3,5-dichloro-3,5-dimethyloctane
CID 139809345
2,6-dichloro-6-methyldodecane
CID 175075248
2,2-dimethylhexane
CID 169424592
(3-butyl-3-chloro-2-methylheptan-2-yl)silane
CID 123537188
5-chlorononan-5-amine
CID 88596915
1-chloropentane-1,1-diamine
CID 175198933
azane;2,2-dimethylhexane
CID 161105081
2-chloro-2-methylheptadecane
CID 19869804

Frequently Asked Questions

What is the IUPAC name of (4R)-4-chloro-4-methyloctane?
The IUPAC name of (4R)-4-chloro-4-methyloctane (CID 129374949) is (4R)-4-chloro-4-methyloctane.
What is the SMILES notation for (4R)-4-chloro-4-methyloctane?
The canonical SMILES for (4R)-4-chloro-4-methyloctane is CCCC[C@](C)(Cl)CCC.
What is the InChIKey of (4R)-4-chloro-4-methyloctane?
The InChIKey is UFUKXCKHTRKNJD-SECBINFHSA-N. The full InChI is InChI=1S/C9H19Cl/c1-4-6-8-9(3,10)7-5-2/h4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (4R)-4-chloro-4-methyloctane?
(4R)-4-chloro-4-methyloctane has a molecular weight of 162.70 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-chloro-4-methyloctane is sourced from PubChem (CID 129374949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).