2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde

C10H16Br2O — CID 10924994

IUPAC2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde
SMILESCC1(C)CCC(Br)C(C)(Br)C1C=O
InChIInChI=1S/C10H16Br2O/c1-9(2)5-4-8(11)10(3,12)7(9)6-13/h6-8H,4-5H2,1-3H3
InChIKeyUFQFRDDBFNWLCU-UHFFFAOYSA-N
MW312.05 g/mol
LogP3.54
Rot. Bonds1

About 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde

2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde (PubChem CID 10924994) has the molecular formula C10H16Br2O and a molecular weight of 312.05 g/mol. Its IUPAC name is 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde
PubChem CID10924994
Molecular FormulaC10H16Br2O
Molecular Weight312.05 g/mol
Exact Mass309.96
IUPAC Name2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde
SMILESCC1(C)CCC(Br)C(C)(Br)C1C=O
InChIInChI=1S/C10H16Br2O/c1-9(2)5-4-8(11)10(3,12)7(9)6-13/h6-8H,4-5H2,1-3H3
InChIKeyUFQFRDDBFNWLCU-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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2,2-dimethylcycloheptane-1-carbaldehyde
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trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
(E)-4-[(1S,2R)-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl]but-3-en-2-one
CID 146180430
2,2,6,6-tetramethylpiperidine-3-carbaldehyde
CID 138564132
(1R,4R,7S)-1,7-dibromo-4-[(E)-2-[(1R,4S,7R)-4,7-dibromo-2,2-dimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl]ethenyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde?
The IUPAC name of 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde (CID 10924994) is 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde is CC1(C)CCC(Br)C(C)(Br)C1C=O.
What is the InChIKey of 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde?
The InChIKey is UFQFRDDBFNWLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2O/c1-9(2)5-4-8(11)10(3,12)7(9)6-13/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde?
2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde has a molecular weight of 312.05 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 10924994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).