2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane

C15H27Cl — CID 64766882

IUPAC2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane
SMILESCC1CCC(C(C)(C)C2CCCC2)C(Cl)C1
InChIInChI=1S/C15H27Cl/c1-11-8-9-13(14(16)10-11)15(2,3)12-6-4-5-7-12/h11-14H,4-10H2,1-3H3
InChIKeyILJMPJNNZBNYJG-UHFFFAOYSA-N
MW242.83 g/mol
LogP5.25
Rot. Bonds2

About 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane

2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane (PubChem CID 64766882) has the molecular formula C15H27Cl and a molecular weight of 242.83 g/mol. Its IUPAC name is 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane
PubChem CID64766882
Molecular FormulaC15H27Cl
Molecular Weight242.83 g/mol
Exact Mass242.18
IUPAC Name2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane
SMILESCC1CCC(C(C)(C)C2CCCC2)C(Cl)C1
InChIInChI=1S/C15H27Cl/c1-11-8-9-13(14(16)10-11)15(2,3)12-6-4-5-7-12/h11-14H,4-10H2,1-3H3
InChIKeyILJMPJNNZBNYJG-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.83
LogP ≤ 55.25
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 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane?
The IUPAC name of 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane (CID 64766882) is 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane.
What is the SMILES notation for 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane?
The canonical SMILES for 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane is CC1CCC(C(C)(C)C2CCCC2)C(Cl)C1.
What is the InChIKey of 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane?
The InChIKey is ILJMPJNNZBNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27Cl/c1-11-8-9-13(14(16)10-11)15(2,3)12-6-4-5-7-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane?
2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane has a molecular weight of 242.83 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-cyclopentylpropan-2-yl)-4-methylcyclohexane is sourced from PubChem (CID 64766882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).