1-tert-butyl-4-methylcyclohexane;hydrobromide

C11H23Br — CID 70497409

IUPAC1-tert-butyl-4-methylcyclohexane;hydrobromide
SMILESBr.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22.BrH/c1-9-5-7-10(8-6-9)11(2,3)4;/h9-10H,5-8H2,1-4H3;1H
InChIKeyIJFXADBQEIYZOT-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.44
Rot. Bonds

About 1-tert-butyl-4-methylcyclohexane;hydrobromide

1-tert-butyl-4-methylcyclohexane;hydrobromide (PubChem CID 70497409) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-tert-butyl-4-methylcyclohexane;hydrobromide.

Molecular Properties

Compound Name1-tert-butyl-4-methylcyclohexane;hydrobromide
PubChem CID70497409
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name1-tert-butyl-4-methylcyclohexane;hydrobromide
SMILESBr.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22.BrH/c1-9-5-7-10(8-6-9)11(2,3)4;/h9-10H,5-8H2,1-4H3;1H
InChIKeyIJFXADBQEIYZOT-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylcyclohexane;hydrobromide?
The IUPAC name of 1-tert-butyl-4-methylcyclohexane;hydrobromide (CID 70497409) is 1-tert-butyl-4-methylcyclohexane;hydrobromide.
What is the SMILES notation for 1-tert-butyl-4-methylcyclohexane;hydrobromide?
The canonical SMILES for 1-tert-butyl-4-methylcyclohexane;hydrobromide is Br.CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylcyclohexane;hydrobromide?
The InChIKey is IJFXADBQEIYZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.BrH/c1-9-5-7-10(8-6-9)11(2,3)4;/h9-10H,5-8H2,1-4H3;1H.
What are the key properties of 1-tert-butyl-4-methylcyclohexane;hydrobromide?
1-tert-butyl-4-methylcyclohexane;hydrobromide has a molecular weight of 235.21 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylcyclohexane;hydrobromide is sourced from PubChem (CID 70497409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).