1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane

C11H21Cl — CID 134205411

IUPAC1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane
SMILESCC1CC(C)C(C(C)C)C(Cl)C1
InChIInChI=1S/C11H21Cl/c1-7(2)11-9(4)5-8(3)6-10(11)12/h7-11H,5-6H2,1-4H3
InChIKeyBOGIRXCXYCUUMZ-UHFFFAOYSA-N
MW188.74 g/mol
LogP3.93
Rot. Bonds1

About 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane

1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane (PubChem CID 134205411) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane
PubChem CID134205411
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane
SMILESCC1CC(C)C(C(C)C)C(Cl)C1
InChIInChI=1S/C11H21Cl/c1-7(2)11-9(4)5-8(3)6-10(11)12/h7-11H,5-6H2,1-4H3
InChIKeyBOGIRXCXYCUUMZ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane?
The IUPAC name of 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane (CID 134205411) is 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane?
The canonical SMILES for 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane is CC1CC(C)C(C(C)C)C(Cl)C1.
What is the InChIKey of 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane?
The InChIKey is BOGIRXCXYCUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-7(2)11-9(4)5-8(3)6-10(11)12/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane?
1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane has a molecular weight of 188.74 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-dimethyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 134205411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).