3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane

C11H21Br — CID 134862351

IUPAC3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane
SMILESCC(CBr)C1CCCC(C)(C)C1
InChIInChI=1S/C11H21Br/c1-9(8-12)10-5-4-6-11(2,3)7-10/h9-10H,4-8H2,1-3H3
InChIKeyGAOBPTKAKHVXND-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.23
Rot. Bonds2

About 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane

3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane (PubChem CID 134862351) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane
PubChem CID134862351
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane
SMILESCC(CBr)C1CCCC(C)(C)C1
InChIInChI=1S/C11H21Br/c1-9(8-12)10-5-4-6-11(2,3)7-10/h9-10H,4-8H2,1-3H3
InChIKeyGAOBPTKAKHVXND-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

3-(1-bromoethyl)-1,1-dimethylcyclohexane
CID 66471069
3-(1-chloropropyl)-1,1-dimethylcyclohexane
CID 79307494
N-[1-(3,3-dimethylcyclohexyl)ethyl]propan-1-amine
CID 66437223
2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol
CID 59184443
2-[2-(3,3-dimethylcyclohexyl)propoxy]ethyl cyclopropanecarboxylate
CID 142609751
ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
CID 142620521
1-[1-(3,3-dimethylcyclohexyl)ethoxy]propan-2-one
CID 19809719
[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate
CID 132575314
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane?
The IUPAC name of 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane (CID 134862351) is 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane?
The canonical SMILES for 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane is CC(CBr)C1CCCC(C)(C)C1.
What is the InChIKey of 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane?
The InChIKey is GAOBPTKAKHVXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-9(8-12)10-5-4-6-11(2,3)7-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane?
3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane has a molecular weight of 233.19 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 134862351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).