1-chloro-3-(cyclopentylmethyl)cyclohexane

C12H21Cl — CID 64515899

IUPAC1-chloro-3-(cyclopentylmethyl)cyclohexane
SMILESClC1CCCC(CC2CCCC2)C1
InChIInChI=1S/C12H21Cl/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10/h10-12H,1-9H2
InChIKeyFCJMVTONIDQNPF-UHFFFAOYSA-N
MW200.75 g/mol
LogP4.36
Rot. Bonds2

About 1-chloro-3-(cyclopentylmethyl)cyclohexane

1-chloro-3-(cyclopentylmethyl)cyclohexane (PubChem CID 64515899) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is 1-chloro-3-(cyclopentylmethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-3-(cyclopentylmethyl)cyclohexane
PubChem CID64515899
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name1-chloro-3-(cyclopentylmethyl)cyclohexane
SMILESClC1CCCC(CC2CCCC2)C1
InChIInChI=1S/C12H21Cl/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10/h10-12H,1-9H2
InChIKeyFCJMVTONIDQNPF-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 54.36
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

4-[(3-chlorocycloheptyl)methyl]oxane
CID 64508637
1-chloro-3-(2-cyclohexylethyl)cyclohexane
CID 54510077
1-chloro-4-(cyclohexylmethyl)cyclohexane
CID 67573435
1-chloro-3-propylcyclohexane
CID 64516368
cyclopentadecylmethylcyclopentadecane
CID 91804599
trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628
1-but-2-ynyl-3-chlorocycloheptane
CID 64506839
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
1-chloro-3-[(2,6-dichlorophenyl)methyl]cycloheptane
CID 64509532
1-chloro-3-octylcycloheptane
CID 64508409
1-chloro-4-(cyclopropylmethyl)cyclohexane
CID 123424415
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(cyclopentylmethyl)cyclohexane?
The IUPAC name of 1-chloro-3-(cyclopentylmethyl)cyclohexane (CID 64515899) is 1-chloro-3-(cyclopentylmethyl)cyclohexane.
What is the SMILES notation for 1-chloro-3-(cyclopentylmethyl)cyclohexane?
The canonical SMILES for 1-chloro-3-(cyclopentylmethyl)cyclohexane is ClC1CCCC(CC2CCCC2)C1.
What is the InChIKey of 1-chloro-3-(cyclopentylmethyl)cyclohexane?
The InChIKey is FCJMVTONIDQNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Cl/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10/h10-12H,1-9H2.
What are the key properties of 1-chloro-3-(cyclopentylmethyl)cyclohexane?
1-chloro-3-(cyclopentylmethyl)cyclohexane has a molecular weight of 200.75 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(cyclopentylmethyl)cyclohexane is sourced from PubChem (CID 64515899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).