1-chloro-2-(2-ethylcyclohexyl)cyclohexane

C14H25Cl — CID 63861688

IUPAC1-chloro-2-(2-ethylcyclohexyl)cyclohexane
SMILESCCC1CCCCC1C1CCCCC1Cl
InChIInChI=1S/C14H25Cl/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15/h11-14H,2-10H2,1H3
InChIKeyRGWKKBBFJYRZHB-UHFFFAOYSA-N
MW228.81 g/mol
LogP5.00
Rot. Bonds2

About 1-chloro-2-(2-ethylcyclohexyl)cyclohexane

1-chloro-2-(2-ethylcyclohexyl)cyclohexane (PubChem CID 63861688) has the molecular formula C14H25Cl and a molecular weight of 228.81 g/mol. Its IUPAC name is 1-chloro-2-(2-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-2-(2-ethylcyclohexyl)cyclohexane
PubChem CID63861688
Molecular FormulaC14H25Cl
Molecular Weight228.81 g/mol
Exact Mass228.16
IUPAC Name1-chloro-2-(2-ethylcyclohexyl)cyclohexane
SMILESCCC1CCCCC1C1CCCCC1Cl
InChIInChI=1S/C14H25Cl/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15/h11-14H,2-10H2,1H3
InChIKeyRGWKKBBFJYRZHB-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1-chloro-2-(2-ethylcyclohexyl)cyclohexane (CID 63861688) is 1-chloro-2-(2-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-chloro-2-(2-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1-chloro-2-(2-ethylcyclohexyl)cyclohexane is CCC1CCCCC1C1CCCCC1Cl.
What is the InChIKey of 1-chloro-2-(2-ethylcyclohexyl)cyclohexane?
The InChIKey is RGWKKBBFJYRZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15/h11-14H,2-10H2,1H3.
What are the key properties of 1-chloro-2-(2-ethylcyclohexyl)cyclohexane?
1-chloro-2-(2-ethylcyclohexyl)cyclohexane has a molecular weight of 228.81 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-ethylcyclohexyl)cyclohexane is sourced from PubChem (CID 63861688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).