6-bromo-3,3,5,5-tetramethylhexanoyl chloride

C10H18BrClO — CID 87329367

IUPAC6-bromo-3,3,5,5-tetramethylhexanoyl chloride
SMILESCC(C)(CBr)CC(C)(C)CC(=O)Cl
InChIInChI=1S/C10H18BrClO/c1-9(2,5-8(12)13)6-10(3,4)7-11/h5-7H2,1-4H3
InChIKeyAFQHJOXWBPSVJQ-UHFFFAOYSA-N
MW269.61 g/mol
LogP3.98
Rot. Bonds5

About 6-bromo-3,3,5,5-tetramethylhexanoyl chloride

6-bromo-3,3,5,5-tetramethylhexanoyl chloride (PubChem CID 87329367) has the molecular formula C10H18BrClO and a molecular weight of 269.61 g/mol. Its IUPAC name is 6-bromo-3,3,5,5-tetramethylhexanoyl chloride.

Molecular Properties

Compound Name6-bromo-3,3,5,5-tetramethylhexanoyl chloride
PubChem CID87329367
Molecular FormulaC10H18BrClO
Molecular Weight269.61 g/mol
Exact Mass268.02
IUPAC Name6-bromo-3,3,5,5-tetramethylhexanoyl chloride
SMILESCC(C)(CBr)CC(C)(C)CC(=O)Cl
InChIInChI=1S/C10H18BrClO/c1-9(2,5-8(12)13)6-10(3,4)7-11/h5-7H2,1-4H3
InChIKeyAFQHJOXWBPSVJQ-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;3,3-dimethylhexanoyl chloride;hydroxide
CID 143631773
3-chloro-3-methylbutanoyl chloride
CID 11344131
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
3,3-dimethyloctanoyl chloride
CID 56622990
2-chloroacetyl chloride;ethane
CID 144520290
2-fluoro-2-methylbutanedioyl dichloride
CID 19349889
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
3-amino-3-methylpentanoyl chloride;hydrochloride
CID 18372009
N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
CID 115364825
4,4,4-trideuterio-3,3-bis(trideuteriomethyl)butanoyl chloride
CID 169438694
acetyl bromide;2-chloroacetyl chloride
CID 88646573
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3,5,5-tetramethylhexanoyl chloride?
The IUPAC name of 6-bromo-3,3,5,5-tetramethylhexanoyl chloride (CID 87329367) is 6-bromo-3,3,5,5-tetramethylhexanoyl chloride.
What is the SMILES notation for 6-bromo-3,3,5,5-tetramethylhexanoyl chloride?
The canonical SMILES for 6-bromo-3,3,5,5-tetramethylhexanoyl chloride is CC(C)(CBr)CC(C)(C)CC(=O)Cl.
What is the InChIKey of 6-bromo-3,3,5,5-tetramethylhexanoyl chloride?
The InChIKey is AFQHJOXWBPSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrClO/c1-9(2,5-8(12)13)6-10(3,4)7-11/h5-7H2,1-4H3.
What are the key properties of 6-bromo-3,3,5,5-tetramethylhexanoyl chloride?
6-bromo-3,3,5,5-tetramethylhexanoyl chloride has a molecular weight of 269.61 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3,5,5-tetramethylhexanoyl chloride is sourced from PubChem (CID 87329367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).