1-chloro-4-(cyclopropylmethyl)cyclohexane

C10H17Cl — CID 123424415

IUPAC1-chloro-4-(cyclopropylmethyl)cyclohexane
SMILESClC1CCC(CC2CC2)CC1
InChIInChI=1S/C10H17Cl/c11-10-5-3-9(4-6-10)7-8-1-2-8/h8-10H,1-7H2
InChIKeyCCMADLMGXKVPSI-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.58
Rot. Bonds2

About 1-chloro-4-(cyclopropylmethyl)cyclohexane

1-chloro-4-(cyclopropylmethyl)cyclohexane (PubChem CID 123424415) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 1-chloro-4-(cyclopropylmethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-4-(cyclopropylmethyl)cyclohexane
PubChem CID123424415
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name1-chloro-4-(cyclopropylmethyl)cyclohexane
SMILESClC1CCC(CC2CC2)CC1
InChIInChI=1S/C10H17Cl/c11-10-5-3-9(4-6-10)7-8-1-2-8/h8-10H,1-7H2
InChIKeyCCMADLMGXKVPSI-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-Chloropropyl)cyclohexane
CID 70762
7-(Chloromethyl)bicyclo[4.1.0]heptane
CID 12627062
1-(2-Chloroethyl)-3,5-dimethylcyclohexane
CID 64728937
p-Pentylcyclohexyl chloride
CID 129853516
1-(Chloromethyl)-4-propylcyclohexane
CID 13608785
1-Chloro-2-fluoro-4-(4-methylheptyl)cyclohexane
CID 90137028
(2-Chloro-3-cyclohexylpropyl)cyclohexane
CID 101580002
trans-1-(chloromethyl)-4-pentylCyclohexane
CID 13608782
1-(Chloromethyl)-4-heptylcyclohexane
CID 13608783
1-Butyl-4-(chloromethyl)cyclohexane
CID 13608786
2-(trans-4'-Butylcyclohexyl)-1-chloroethane
CID 15085165
1-Butyl-4-chlorocyclohexane
CID 19738722

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(cyclopropylmethyl)cyclohexane?
The IUPAC name of 1-chloro-4-(cyclopropylmethyl)cyclohexane (CID 123424415) is 1-chloro-4-(cyclopropylmethyl)cyclohexane.
What is the SMILES notation for 1-chloro-4-(cyclopropylmethyl)cyclohexane?
The canonical SMILES for 1-chloro-4-(cyclopropylmethyl)cyclohexane is ClC1CCC(CC2CC2)CC1.
What is the InChIKey of 1-chloro-4-(cyclopropylmethyl)cyclohexane?
The InChIKey is CCMADLMGXKVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c11-10-5-3-9(4-6-10)7-8-1-2-8/h8-10H,1-7H2.
What are the key properties of 1-chloro-4-(cyclopropylmethyl)cyclohexane?
1-chloro-4-(cyclopropylmethyl)cyclohexane has a molecular weight of 172.70 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-4-(cyclopropylmethyl)cyclohexane is sourced from PubChem (CID 123424415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).