7-bromo-2,7-dimethyl-2-pentyldecanal

C17H33BrO — CID 90182766

IUPAC7-bromo-2,7-dimethyl-2-pentyldecanal
SMILESCCCCCC(C)(C=O)CCCCC(C)(Br)CCC
InChIInChI=1S/C17H33BrO/c1-5-7-8-12-16(3,15-19)13-9-10-14-17(4,18)11-6-2/h15H,5-14H2,1-4H3
InChIKeyVJEAWUIXNIBXKZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP6.29
Rot. Bonds12

About 7-bromo-2,7-dimethyl-2-pentyldecanal

7-bromo-2,7-dimethyl-2-pentyldecanal (PubChem CID 90182766) has the molecular formula C17H33BrO and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-bromo-2,7-dimethyl-2-pentyldecanal.

Molecular Properties

Compound Name7-bromo-2,7-dimethyl-2-pentyldecanal
PubChem CID90182766
Molecular FormulaC17H33BrO
Molecular Weight333.35 g/mol
Exact Mass332.17
IUPAC Name7-bromo-2,7-dimethyl-2-pentyldecanal
SMILESCCCCCC(C)(C=O)CCCCC(C)(Br)CCC
InChIInChI=1S/C17H33BrO/c1-5-7-8-12-16(3,15-19)13-9-10-14-17(4,18)11-6-2/h15H,5-14H2,1-4H3
InChIKeyVJEAWUIXNIBXKZ-UHFFFAOYSA-N
XLogP6.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 56.29
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

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CID 155906452
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2-bromo-2-ethyldodecanal
CID 11623442
2-(cyclopropylmethyl)-2-methylhexanal
CID 141352242
2-methyl-2-sulfanyldecanal
CID 154228508
2-hydroxy-2-methylundecanal
CID 66038378
(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
2-methyl-2-phenylicosanal
CID 174730762
6-amino-2-ethyl-2-methylhexanal
CID 174609076
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,7-dimethyl-2-pentyldecanal?
The IUPAC name of 7-bromo-2,7-dimethyl-2-pentyldecanal (CID 90182766) is 7-bromo-2,7-dimethyl-2-pentyldecanal.
What is the SMILES notation for 7-bromo-2,7-dimethyl-2-pentyldecanal?
The canonical SMILES for 7-bromo-2,7-dimethyl-2-pentyldecanal is CCCCCC(C)(C=O)CCCCC(C)(Br)CCC.
What is the InChIKey of 7-bromo-2,7-dimethyl-2-pentyldecanal?
The InChIKey is VJEAWUIXNIBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BrO/c1-5-7-8-12-16(3,15-19)13-9-10-14-17(4,18)11-6-2/h15H,5-14H2,1-4H3.
What are the key properties of 7-bromo-2,7-dimethyl-2-pentyldecanal?
7-bromo-2,7-dimethyl-2-pentyldecanal has a molecular weight of 333.35 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,7-dimethyl-2-pentyldecanal is sourced from PubChem (CID 90182766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).