1-(3-bromo-2-methylpropyl)-3-methylcyclohexane

C11H21Br — CID 64670996

IUPAC1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
SMILESCC(CBr)CC1CCCC(C)C1
InChIInChI=1S/C11H21Br/c1-9-4-3-5-11(6-9)7-10(2)8-12/h9-11H,3-8H2,1-2H3
InChIKeySADKPZDKCJDPQV-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane

1-(3-bromo-2-methylpropyl)-3-methylcyclohexane (PubChem CID 64670996) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
PubChem CID64670996
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
SMILESCC(CBr)CC1CCCC(C)C1
InChIInChI=1S/C11H21Br/c1-9-4-3-5-11(6-9)7-10(2)8-12/h9-11H,3-8H2,1-2H3
InChIKeySADKPZDKCJDPQV-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.23
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-(3-bromo-2-methylpropyl)-3-methylcyclohexane?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane (CID 64670996) is 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane is CC(CBr)CC1CCCC(C)C1.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane?
The InChIKey is SADKPZDKCJDPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-9-4-3-5-11(6-9)7-10(2)8-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane?
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane has a molecular weight of 233.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-3-methylcyclohexane is sourced from PubChem (CID 64670996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).