2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane

C17H31Br — CID 82924227

IUPAC2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane
SMILESCC1CCC(C(C)(C)C2CCCCCC2)C(Br)C1
InChIInChI=1S/C17H31Br/c1-13-10-11-15(16(18)12-13)17(2,3)14-8-6-4-5-7-9-14/h13-16H,4-12H2,1-3H3
InChIKeyAASKBRBPPNELSW-UHFFFAOYSA-N
MW315.34 g/mol
LogP6.18
Rot. Bonds2

About 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane

2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane (PubChem CID 82924227) has the molecular formula C17H31Br and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane.

Molecular Properties

Compound Name2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane
PubChem CID82924227
Molecular FormulaC17H31Br
Molecular Weight315.34 g/mol
Exact Mass314.16
IUPAC Name2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane
SMILESCC1CCC(C(C)(C)C2CCCCCC2)C(Br)C1
InChIInChI=1S/C17H31Br/c1-13-10-11-15(16(18)12-13)17(2,3)14-8-6-4-5-7-9-14/h13-16H,4-12H2,1-3H3
InChIKeyAASKBRBPPNELSW-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopentylpropan-2-yl)-3-methylcyclopentane
CID 163483519
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene
CID 64766276
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
2-[2-(3,5-dimethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765355
2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765549
1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-3-methylbenzene
CID 64767244
1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-2,4-dimethylbenzene
CID 64766451
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-iodobenzene
CID 65489176
1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
CID 20647647
4-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-1,2-dimethylbenzene
CID 64767076
2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
CID 144841343
1-methyl-3-[2-(3-methylcyclopentyl)propan-2-yl]cyclopentane
CID 58630980

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane?
The IUPAC name of 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane (CID 82924227) is 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane.
What is the SMILES notation for 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane?
The canonical SMILES for 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane is CC1CCC(C(C)(C)C2CCCCCC2)C(Br)C1.
What is the InChIKey of 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane?
The InChIKey is AASKBRBPPNELSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31Br/c1-13-10-11-15(16(18)12-13)17(2,3)14-8-6-4-5-7-9-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane?
2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane has a molecular weight of 315.34 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane is sourced from PubChem (CID 82924227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).