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

C10H19Br — CID 66471069

IUPAC3-(1-bromoethyl)-1,1-dimethylcyclohexane
SMILESCC(Br)C1CCCC(C)(C)C1
InChIInChI=1S/C10H19Br/c1-8(11)9-5-4-6-10(2,3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyMXCOHJDTPNIDMW-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds1

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

3-(1-bromoethyl)-1,1-dimethylcyclohexane (PubChem CID 66471069) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 3-(1-bromoethyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name3-(1-bromoethyl)-1,1-dimethylcyclohexane
PubChem CID66471069
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name3-(1-bromoethyl)-1,1-dimethylcyclohexane
SMILESCC(Br)C1CCCC(C)(C)C1
InChIInChI=1S/C10H19Br/c1-8(11)9-5-4-6-10(2,3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyMXCOHJDTPNIDMW-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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-bromopropan-2-yl)-1,1-dimethylcyclohexane
CID 134862351
3-(1-chloropropyl)-1,1-dimethylcyclohexane
CID 79307494
N-[1-(3,3-dimethylcyclohexyl)ethyl]propan-1-amine
CID 66437223
1-bromoethylcyclododecane
CID 66471074
2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol
CID 59184443
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
CID 142620521
1-[1-(3,3-dimethylcyclohexyl)ethoxy]propan-2-one
CID 19809719
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
CID 79299029
8-(1-bromoethyl)spiro[4.5]decane
CID 114821018
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromoethyl)-1,1-dimethylcyclohexane?
The IUPAC name of 3-(1-bromoethyl)-1,1-dimethylcyclohexane (CID 66471069) is 3-(1-bromoethyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 3-(1-bromoethyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 3-(1-bromoethyl)-1,1-dimethylcyclohexane is CC(Br)C1CCCC(C)(C)C1.
What is the InChIKey of 3-(1-bromoethyl)-1,1-dimethylcyclohexane?
The InChIKey is MXCOHJDTPNIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-8(11)9-5-4-6-10(2,3)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(1-bromoethyl)-1,1-dimethylcyclohexane?
3-(1-bromoethyl)-1,1-dimethylcyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromoethyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 66471069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).