1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane

C13H23Br — CID 64908823

IUPAC1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane
SMILESCC1CCC(C2CCC(Br)C2C)CC1
InChIInChI=1S/C13H23Br/c1-9-3-5-11(6-4-9)12-7-8-13(14)10(12)2/h9-13H,3-8H2,1-2H3
InChIKeyMDZZJVNITVACEL-UHFFFAOYSA-N
MW259.23 g/mol
LogP4.62
Rot. Bonds1

About 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane

1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane (PubChem CID 64908823) has the molecular formula C13H23Br and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane
PubChem CID64908823
Molecular FormulaC13H23Br
Molecular Weight259.23 g/mol
Exact Mass258.10
IUPAC Name1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane
SMILESCC1CCC(C2CCC(Br)C2C)CC1
InChIInChI=1S/C13H23Br/c1-9-3-5-11(6-4-9)12-7-8-13(14)10(12)2/h9-13H,3-8H2,1-2H3
InChIKeyMDZZJVNITVACEL-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 54.62
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-methylcyclopentyl)-4-methylcyclohexane?
The IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane (CID 64908823) is 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane?
The canonical SMILES for 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane is CC1CCC(C2CCC(Br)C2C)CC1.
What is the InChIKey of 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane?
The InChIKey is MDZZJVNITVACEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br/c1-9-3-5-11(6-4-9)12-7-8-13(14)10(12)2/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane?
1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane has a molecular weight of 259.23 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane is sourced from PubChem (CID 64908823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).