2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane

C11H21Br — CID 66471064

IUPAC2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(CBr)C1
InChIInChI=1S/C11H21Br/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3
InChIKeyIFPDWKYDBNGIAE-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.09
Rot. Bonds2

About 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane

2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 66471064) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID66471064
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(CBr)C1
InChIInChI=1S/C11H21Br/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3
InChIKeyIFPDWKYDBNGIAE-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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

(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
CID 141258734
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
5-(5-methyl-2-propan-2-ylcyclohexyl)pent-2-en-1-ol
CID 174145387
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl 2-aminoacetate
CID 153428354
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane (CID 66471064) is 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is IFPDWKYDBNGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane?
2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 233.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 66471064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).