2-(1-bromoethyl)-1,3-dimethylcyclohexane

C10H19Br — CID 66469655

IUPAC2-(1-bromoethyl)-1,3-dimethylcyclohexane
SMILESCC(Br)C1C(C)CCCC1C
InChIInChI=1S/C10H19Br/c1-7-5-4-6-8(2)10(7)9(3)11/h7-10H,4-6H2,1-3H3
InChIKeyPZXHTFYMSROEQJ-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.84
Rot. Bonds1

About 2-(1-bromoethyl)-1,3-dimethylcyclohexane

2-(1-bromoethyl)-1,3-dimethylcyclohexane (PubChem CID 66469655) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 2-(1-bromoethyl)-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name2-(1-bromoethyl)-1,3-dimethylcyclohexane
PubChem CID66469655
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name2-(1-bromoethyl)-1,3-dimethylcyclohexane
SMILESCC(Br)C1C(C)CCCC1C
InChIInChI=1S/C10H19Br/c1-7-5-4-6-8(2)10(7)9(3)11/h7-10H,4-6H2,1-3H3
InChIKeyPZXHTFYMSROEQJ-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.84
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-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
1-(2,6-dimethylcyclohexyl)butan-1-ol
CID 83051760
1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane
CID 90849412
1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene
CID 107182321
1-bromoethylcyclododecane
CID 66471074
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-1,3-dimethylcyclohexane?
The IUPAC name of 2-(1-bromoethyl)-1,3-dimethylcyclohexane (CID 66469655) is 2-(1-bromoethyl)-1,3-dimethylcyclohexane.
What is the SMILES notation for 2-(1-bromoethyl)-1,3-dimethylcyclohexane?
The canonical SMILES for 2-(1-bromoethyl)-1,3-dimethylcyclohexane is CC(Br)C1C(C)CCCC1C.
What is the InChIKey of 2-(1-bromoethyl)-1,3-dimethylcyclohexane?
The InChIKey is PZXHTFYMSROEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-7-5-4-6-8(2)10(7)9(3)11/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-(1-bromoethyl)-1,3-dimethylcyclohexane?
2-(1-bromoethyl)-1,3-dimethylcyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-1,3-dimethylcyclohexane is sourced from PubChem (CID 66469655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).