7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal

C15H20Br2O — CID 171079837

IUPAC7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal
SMILESCC(C)(C=O)CCCCC(Br)c1cccc(Br)c1
InChIInChI=1S/C15H20Br2O/c1-15(2,11-18)9-4-3-8-14(17)12-6-5-7-13(16)10-12/h5-7,10-11,14H,3-4,8-9H2,1-2H3
InChIKeyAHZBYQCAYYGGTH-UHFFFAOYSA-N
MW376.13 g/mol
LogP5.67
Rot. Bonds7

About 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal

7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal (PubChem CID 171079837) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal.

Molecular Properties

Compound Name7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal
PubChem CID171079837
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal
SMILESCC(C)(C=O)CCCCC(Br)c1cccc(Br)c1
InChIInChI=1S/C15H20Br2O/c1-15(2,11-18)9-4-3-8-14(17)12-6-5-7-13(16)10-12/h5-7,10-11,14H,3-4,8-9H2,1-2H3
InChIKeyAHZBYQCAYYGGTH-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.13
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-bromo-3-(3-bromophenyl)propoxy]-2,2-dimethylpropanal
CID 171078914
7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol
CID 171079501
1-bromo-3-(1,2-dibromoethyl)benzene
CID 139746673
benzyl N-[6-bromo-6-(3-bromophenyl)-2,2-dimethylhexyl]-N-methylcarbamate
CID 171078217
3-bromo-3-(3-bromophenyl)propanoic acid
CID 11150960
2-(3-bromophenyl)butanal
CID 83839920
1-(3-bromophenyl)-4-methylpentane-1,4-diamine
CID 116934811
1-(3-bromophenyl)hexan-1-amine
CID 62602572
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(3-bromophenyl)heptan-1-amine
CID 62602381
2-(3-bromophenyl)-4-methylpentanal
CID 83844088

Frequently Asked Questions

What is the IUPAC name of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal?
The IUPAC name of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal (CID 171079837) is 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal.
What is the SMILES notation for 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal?
The canonical SMILES for 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal is CC(C)(C=O)CCCCC(Br)c1cccc(Br)c1.
What is the InChIKey of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal?
The InChIKey is AHZBYQCAYYGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-15(2,11-18)9-4-3-8-14(17)12-6-5-7-13(16)10-12/h5-7,10-11,14H,3-4,8-9H2,1-2H3.
What are the key properties of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal?
7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal has a molecular weight of 376.13 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal is sourced from PubChem (CID 171079837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).