2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane

C11H21Cl — CID 14166074

IUPAC2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(CCl)C1
InChIInChI=1S/C11H21Cl/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3
InChIKeyUXGNBQIICWXXJD-UHFFFAOYSA-N
MW188.74 g/mol
LogP3.93
Rot. Bonds2

About 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane

2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 14166074) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID14166074
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(CCl)C1
InChIInChI=1S/C11H21Cl/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3
InChIKeyUXGNBQIICWXXJD-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 53.93
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-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane (CID 14166074) is 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is UXGNBQIICWXXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane?
2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 188.74 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 14166074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).