1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane

C13H23Br — CID 130489296

IUPAC1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane
SMILESCC1CCC(C2C(CBr)C2(C)C)CC1
InChIInChI=1S/C13H23Br/c1-9-4-6-10(7-5-9)12-11(8-14)13(12,2)3/h9-12H,4-8H2,1-3H3
InChIKeyGMOQUBISDKMUHW-UHFFFAOYSA-N
MW259.23 g/mol
LogP4.48
Rot. Bonds2

About 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane

1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane (PubChem CID 130489296) has the molecular formula C13H23Br and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane
PubChem CID130489296
Molecular FormulaC13H23Br
Molecular Weight259.23 g/mol
Exact Mass258.10
IUPAC Name1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane
SMILESCC1CCC(C2C(CBr)C2(C)C)CC1
InChIInChI=1S/C13H23Br/c1-9-4-6-10(7-5-9)12-11(8-14)13(12,2)3/h9-12H,4-8H2,1-3H3
InChIKeyGMOQUBISDKMUHW-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 54.48
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

2,2-dimethyl-3-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 130488359
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
ethane;methylcyclopropane
CID 158329065
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 90698417
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-thiol
CID 88553136
1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine
CID 130488753
3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
CID 123565546
N-[(3-cycloheptyl-2,2-dimethylcyclopropyl)methyl]propan-2-amine
CID 114229630
1-bromo-4-methylcyclohexane;ethane
CID 91482050
bis(1,4-dimethylcyclohexane);methane
CID 161326462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane?
The IUPAC name of 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane (CID 130489296) is 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane?
The canonical SMILES for 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane is CC1CCC(C2C(CBr)C2(C)C)CC1.
What is the InChIKey of 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane?
The InChIKey is GMOQUBISDKMUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br/c1-9-4-6-10(7-5-9)12-11(8-14)13(12,2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane?
1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane has a molecular weight of 259.23 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane is sourced from PubChem (CID 130489296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).