1-chloro-3-propylcyclohexane

C9H17Cl — CID 64516368

IUPAC1-chloro-3-propylcyclohexane
SMILESCCCC1CCCC(Cl)C1
InChIInChI=1S/C9H17Cl/c1-2-4-8-5-3-6-9(10)7-8/h8-9H,2-7H2,1H3
InChIKeyLXQBDLCDWPKSAM-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.58
Rot. Bonds2

About 1-chloro-3-propylcyclohexane

1-chloro-3-propylcyclohexane (PubChem CID 64516368) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 1-chloro-3-propylcyclohexane.

Molecular Properties

Compound Name1-chloro-3-propylcyclohexane
PubChem CID64516368
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name1-chloro-3-propylcyclohexane
SMILESCCCC1CCCC(Cl)C1
InChIInChI=1S/C9H17Cl/c1-2-4-8-5-3-6-9(10)7-8/h8-9H,2-7H2,1H3
InChIKeyLXQBDLCDWPKSAM-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3-propylcyclohexane 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-chloro-3-octylcycloheptane
CID 64508409
1-chloro-3-(2-cyclohexylethyl)cyclohexane
CID 54510077
1-chloro-3-(2-propylsulfonylethyl)cyclohexane
CID 106732493
1-ethyl-3-propylcyclohexane
CID 22129036
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
3-propylbicyclo[5.1.0]octane
CID 123651402
1-chloro-3-(cyclopentylmethyl)cyclohexane
CID 64515899
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
N-[(3-chlorocyclohexyl)methyl]dodecan-1-amine
CID 106122733
3-propylcyclohexane-1-carboxamide
CID 141116974
1-chloro-3-(2-methylsulfonylethyl)cycloheptane
CID 64507071
propylcyclotetradecane
CID 90991550

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propylcyclohexane?
The IUPAC name of 1-chloro-3-propylcyclohexane (CID 64516368) is 1-chloro-3-propylcyclohexane.
What is the SMILES notation for 1-chloro-3-propylcyclohexane?
The canonical SMILES for 1-chloro-3-propylcyclohexane is CCCC1CCCC(Cl)C1.
What is the InChIKey of 1-chloro-3-propylcyclohexane?
The InChIKey is LXQBDLCDWPKSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-2-4-8-5-3-6-9(10)7-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-chloro-3-propylcyclohexane?
1-chloro-3-propylcyclohexane has a molecular weight of 160.69 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propylcyclohexane is sourced from PubChem (CID 64516368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).