[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane

C20H36Cl2O — CID 141354867

IUPAC[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane
SMILESClC(CCCC1CCCCC1)OC(Cl)CCCC1CCCCC1
InChIInChI=1S/C20H36Cl2O/c21-19(15-7-13-17-9-3-1-4-10-17)23-20(22)16-8-14-18-11-5-2-6-12-18/h17-20H,1-16H2
InChIKeyVRXJKEBHTKQLSS-UHFFFAOYSA-N
MW363.41 g/mol
LogP7.63
Rot. Bonds10

About [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane

[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane (PubChem CID 141354867) has the molecular formula C20H36Cl2O and a molecular weight of 363.41 g/mol. Its IUPAC name is [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane.

Molecular Properties

Compound Name[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane
PubChem CID141354867
Molecular FormulaC20H36Cl2O
Molecular Weight363.41 g/mol
Exact Mass362.21
IUPAC Name[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane
SMILESClC(CCCC1CCCCC1)OC(Cl)CCCC1CCCCC1
InChIInChI=1S/C20H36Cl2O/c21-19(15-7-13-17-9-3-1-4-10-17)23-20(22)16-8-14-18-11-5-2-6-12-18/h17-20H,1-16H2
InChIKeyVRXJKEBHTKQLSS-UHFFFAOYSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane 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

4-cyclohexylbutane-1,1-diamine
CID 174921978
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
CID 71438405
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclobutylpropylcyclohexane
CID 54165208
4-methylpentylcyclopentane
CID 523530
4-cyclobutylbutane-1,1-diamine
CID 90300630
2-chloro-14-cyclohexyltetradecanoic acid
CID 174341935
1-(4-chlorobutyl)-4-(4-cyclohexylbutyl)cyclohexane
CID 57205272
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
3-(difluoromethoxy)propylcyclohexane
CID 25223055

Frequently Asked Questions

What is the IUPAC name of [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane?
The IUPAC name of [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane (CID 141354867) is [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane.
What is the SMILES notation for [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane?
The canonical SMILES for [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane is ClC(CCCC1CCCCC1)OC(Cl)CCCC1CCCCC1.
What is the InChIKey of [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane?
The InChIKey is VRXJKEBHTKQLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Cl2O/c21-19(15-7-13-17-9-3-1-4-10-17)23-20(22)16-8-14-18-11-5-2-6-12-18/h17-20H,1-16H2.
What are the key properties of [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane?
[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane has a molecular weight of 363.41 g/mol, XLogP of 7.63, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane is sourced from PubChem (CID 141354867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).