1-(3-bromocyclopentyl)-3-methylcyclohexane

C12H21Br — CID 64506480

IUPAC1-(3-bromocyclopentyl)-3-methylcyclohexane
SMILESCC1CCCC(C2CCC(Br)C2)C1
InChIInChI=1S/C12H21Br/c1-9-3-2-4-10(7-9)11-5-6-12(13)8-11/h9-12H,2-8H2,1H3
InChIKeyWORSGHGDWLHTPP-UHFFFAOYSA-N
MW245.20 g/mol
LogP4.38
Rot. Bonds1

About 1-(3-bromocyclopentyl)-3-methylcyclohexane

1-(3-bromocyclopentyl)-3-methylcyclohexane (PubChem CID 64506480) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-(3-bromocyclopentyl)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(3-bromocyclopentyl)-3-methylcyclohexane
PubChem CID64506480
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name1-(3-bromocyclopentyl)-3-methylcyclohexane
SMILESCC1CCCC(C2CCC(Br)C2)C1
InChIInChI=1S/C12H21Br/c1-9-3-2-4-10(7-9)11-5-6-12(13)8-11/h9-12H,2-8H2,1H3
InChIKeyWORSGHGDWLHTPP-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-1-bromo-3-methylcyclohexane
CID 12768448
(3-bromocyclopentyl)cycloheptane
CID 82925250
5-cyclohexyl-1,3-dimethyl-9-(4-methylcyclohexyl)cyclotridecane
CID 58552401
3-cyclopropyl-1-methyl-5-(5-methylcyclooctyl)cyclooctane;1,5-dimethylcyclooctane;ethane;methylcyclooctane
CID 159988764
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
1-chloro-3-(3-methylcyclohexyl)cyclohexane
CID 64514707
2-methyl-5-(3-methylcyclohexyl)piperidine
CID 106779690
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
1-(3-bromo-2-methylcyclopentyl)-3-methylcyclohexane
CID 64907304

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocyclopentyl)-3-methylcyclohexane?
The IUPAC name of 1-(3-bromocyclopentyl)-3-methylcyclohexane (CID 64506480) is 1-(3-bromocyclopentyl)-3-methylcyclohexane.
What is the SMILES notation for 1-(3-bromocyclopentyl)-3-methylcyclohexane?
The canonical SMILES for 1-(3-bromocyclopentyl)-3-methylcyclohexane is CC1CCCC(C2CCC(Br)C2)C1.
What is the InChIKey of 1-(3-bromocyclopentyl)-3-methylcyclohexane?
The InChIKey is WORSGHGDWLHTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c1-9-3-2-4-10(7-9)11-5-6-12(13)8-11/h9-12H,2-8H2,1H3.
What are the key properties of 1-(3-bromocyclopentyl)-3-methylcyclohexane?
1-(3-bromocyclopentyl)-3-methylcyclohexane has a molecular weight of 245.20 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocyclopentyl)-3-methylcyclohexane is sourced from PubChem (CID 64506480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).