1-chloro-4-(cyclohexylmethyl)cyclohexane

C13H23Cl — CID 67573435

IUPAC1-chloro-4-(cyclohexylmethyl)cyclohexane
SMILESClC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C13H23Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10H2
InChIKeyDFCRTHSZJJKMBO-UHFFFAOYSA-N
MW214.78 g/mol
LogP4.75
Rot. Bonds2

About 1-chloro-4-(cyclohexylmethyl)cyclohexane

1-chloro-4-(cyclohexylmethyl)cyclohexane (PubChem CID 67573435) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is 1-chloro-4-(cyclohexylmethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-4-(cyclohexylmethyl)cyclohexane
PubChem CID67573435
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name1-chloro-4-(cyclohexylmethyl)cyclohexane
SMILESClC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C13H23Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10H2
InChIKeyDFCRTHSZJJKMBO-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(cyclohexylmethyl)cyclohexane?
The IUPAC name of 1-chloro-4-(cyclohexylmethyl)cyclohexane (CID 67573435) is 1-chloro-4-(cyclohexylmethyl)cyclohexane.
What is the SMILES notation for 1-chloro-4-(cyclohexylmethyl)cyclohexane?
The canonical SMILES for 1-chloro-4-(cyclohexylmethyl)cyclohexane is ClC1CCC(CC2CCCCC2)CC1.
What is the InChIKey of 1-chloro-4-(cyclohexylmethyl)cyclohexane?
The InChIKey is DFCRTHSZJJKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10H2.
What are the key properties of 1-chloro-4-(cyclohexylmethyl)cyclohexane?
1-chloro-4-(cyclohexylmethyl)cyclohexane has a molecular weight of 214.78 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(cyclohexylmethyl)cyclohexane is sourced from PubChem (CID 67573435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).