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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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).