5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane

C12H23Br — CID 167724263

IUPAC5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CC(CCBr)CC(C)(C)C1
InChIInChI=1S/C12H23Br/c1-11(2)7-10(5-6-13)8-12(3,4)9-11/h10H,5-9H2,1-4H3
InChIKeyCWNIOGHABKTAFD-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.62
Rot. Bonds2

About 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane

5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane (PubChem CID 167724263) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane.

Molecular Properties

Compound Name5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane
PubChem CID167724263
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CC(CCBr)CC(C)(C)C1
InChIInChI=1S/C12H23Br/c1-11(2)7-10(5-6-13)8-12(3,4)9-11/h10H,5-9H2,1-4H3
InChIKeyCWNIOGHABKTAFD-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.62
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 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane?
The IUPAC name of 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane (CID 167724263) is 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane.
What is the SMILES notation for 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane?
The canonical SMILES for 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane is CC1(C)CC(CCBr)CC(C)(C)C1.
What is the InChIKey of 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane?
The InChIKey is CWNIOGHABKTAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br/c1-11(2)7-10(5-6-13)8-12(3,4)9-11/h10H,5-9H2,1-4H3.
What are the key properties of 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane?
5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane has a molecular weight of 247.22 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-1,1,3,3-tetramethylcyclohexane is sourced from PubChem (CID 167724263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).