1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane

C14H25Cl — CID 66035796

IUPAC1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
SMILESClCC1(CC2CCCCC2)CCCCC1
InChIInChI=1S/C14H25Cl/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h13H,1-12H2
InChIKeySXCAVMBDEWOHIR-UHFFFAOYSA-N
MW228.81 g/mol
LogP5.15
Rot. Bonds3

About 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane

1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane (PubChem CID 66035796) has the molecular formula C14H25Cl and a molecular weight of 228.81 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
PubChem CID66035796
Molecular FormulaC14H25Cl
Molecular Weight228.81 g/mol
Exact Mass228.16
IUPAC Name1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
SMILESClCC1(CC2CCCCC2)CCCCC1
InChIInChI=1S/C14H25Cl/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h13H,1-12H2
InChIKeySXCAVMBDEWOHIR-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.81
LogP ≤ 55.15
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-[[1-(chloromethyl)cyclobutyl]methyl]oxane
CID 66033311
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
CID 115455707
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
1-(cyclohexylmethyl)cyclohexane-1-thiol
CID 144560973
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane
CID 163878928
[1-(chloromethyl)cyclohexyl]methanamine
CID 55255403
[2-(cyclohexylmethyl)oxan-2-yl]silane
CID 123591817
[2-(cyclopentadecylmethyl)oxan-2-yl]silane
CID 175099799
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane?
The IUPAC name of 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane (CID 66035796) is 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane.
What is the SMILES notation for 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane?
The canonical SMILES for 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane is ClCC1(CC2CCCCC2)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane?
The InChIKey is SXCAVMBDEWOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h13H,1-12H2.
What are the key properties of 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane?
1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane has a molecular weight of 228.81 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane is sourced from PubChem (CID 66035796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).