6-bromo-2-methyl-2-propylcyclohexan-1-one

C10H17BrO — CID 68683253

IUPAC6-bromo-2-methyl-2-propylcyclohexan-1-one
SMILESCCCC1(C)CCCC(Br)C1=O
InChIInChI=1S/C10H17BrO/c1-3-6-10(2)7-4-5-8(11)9(10)12/h8H,3-7H2,1-2H3
InChIKeyWYMTYHBTAVGDFL-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.31
Rot. Bonds2

About 6-bromo-2-methyl-2-propylcyclohexan-1-one

6-bromo-2-methyl-2-propylcyclohexan-1-one (PubChem CID 68683253) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 6-bromo-2-methyl-2-propylcyclohexan-1-one.

Molecular Properties

Compound Name6-bromo-2-methyl-2-propylcyclohexan-1-one
PubChem CID68683253
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name6-bromo-2-methyl-2-propylcyclohexan-1-one
SMILESCCCC1(C)CCCC(Br)C1=O
InChIInChI=1S/C10H17BrO/c1-3-6-10(2)7-4-5-8(11)9(10)12/h8H,3-7H2,1-2H3
InChIKeyWYMTYHBTAVGDFL-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-bromo-2-methyl-2-propylcyclohexan-1-one?
The IUPAC name of 6-bromo-2-methyl-2-propylcyclohexan-1-one (CID 68683253) is 6-bromo-2-methyl-2-propylcyclohexan-1-one.
What is the SMILES notation for 6-bromo-2-methyl-2-propylcyclohexan-1-one?
The canonical SMILES for 6-bromo-2-methyl-2-propylcyclohexan-1-one is CCCC1(C)CCCC(Br)C1=O.
What is the InChIKey of 6-bromo-2-methyl-2-propylcyclohexan-1-one?
The InChIKey is WYMTYHBTAVGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-3-6-10(2)7-4-5-8(11)9(10)12/h8H,3-7H2,1-2H3.
What are the key properties of 6-bromo-2-methyl-2-propylcyclohexan-1-one?
6-bromo-2-methyl-2-propylcyclohexan-1-one has a molecular weight of 233.15 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-2-propylcyclohexan-1-one is sourced from PubChem (CID 68683253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).