1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane

C14H25Cl — CID 63461508

IUPAC1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane
SMILESCCC1CCC(Cl)C(CC2CCCC2)C1
InChIInChI=1S/C14H25Cl/c1-2-11-7-8-14(15)13(9-11)10-12-5-3-4-6-12/h11-14H,2-10H2,1H3
InChIKeyCLRNNEXCSNOLCJ-UHFFFAOYSA-N
MW228.81 g/mol
LogP5.00
Rot. Bonds3

About 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane

1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane (PubChem CID 63461508) has the molecular formula C14H25Cl and a molecular weight of 228.81 g/mol. Its IUPAC name is 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane
PubChem CID63461508
Molecular FormulaC14H25Cl
Molecular Weight228.81 g/mol
Exact Mass228.16
IUPAC Name1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane
SMILESCCC1CCC(Cl)C(CC2CCCC2)C1
InChIInChI=1S/C14H25Cl/c1-2-11-7-8-14(15)13(9-11)10-12-5-3-4-6-12/h11-14H,2-10H2,1H3
InChIKeyCLRNNEXCSNOLCJ-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
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

1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
2-(cyclohexylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81021047
5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane
CID 116523345
(2R)-2-chloro-1,4-diethylcyclohexane
CID 58445540
2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
CID 65165949
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461866
1-chloro-4-ethyl-2-(3-methylsulfonylpropyl)cyclohexane
CID 63195682
1,3-diethylcyclopentane
CID 530396
2-chloro-4-ethyl-1-methylcyclohexane
CID 89207092
ethane;bis(ethylcyclopentane)
CID 158911237
tris(ethylcyclopentane);gadolinium
CID 160752471

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane?
The IUPAC name of 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane (CID 63461508) is 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane.
What is the SMILES notation for 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane?
The canonical SMILES for 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane is CCC1CCC(Cl)C(CC2CCCC2)C1.
What is the InChIKey of 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane?
The InChIKey is CLRNNEXCSNOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl/c1-2-11-7-8-14(15)13(9-11)10-12-5-3-4-6-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane?
1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane has a molecular weight of 228.81 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane is sourced from PubChem (CID 63461508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).