3,3-dibromodecan-2-one

C10H18Br2O — CID 155730297

IUPAC3,3-dibromodecan-2-one
SMILESCCCCCCCC(Br)(Br)C(C)=O
InChIInChI=1S/C10H18Br2O/c1-3-4-5-6-7-8-10(11,12)9(2)13/h3-8H2,1-2H3
InChIKeyOMEZBHJZTSRILT-UHFFFAOYSA-N
MW314.06 g/mol
LogP4.42
Rot. Bonds7

About 3,3-dibromodecan-2-one

3,3-dibromodecan-2-one (PubChem CID 155730297) has the molecular formula C10H18Br2O and a molecular weight of 314.06 g/mol. Its IUPAC name is 3,3-dibromodecan-2-one.

Molecular Properties

Compound Name3,3-dibromodecan-2-one
PubChem CID155730297
Molecular FormulaC10H18Br2O
Molecular Weight314.06 g/mol
Exact Mass311.97
IUPAC Name3,3-dibromodecan-2-one
SMILESCCCCCCCC(Br)(Br)C(C)=O
InChIInChI=1S/C10H18Br2O/c1-3-4-5-6-7-8-10(11,12)9(2)13/h3-8H2,1-2H3
InChIKeyOMEZBHJZTSRILT-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dibromododecan-2-one
CID 91588041
2,2-dibromooctadecanoyl chloride
CID 18469463
2-bromo-2-pentyloctanoic acid
CID 178066867
(2S,3S)-3-acetyl-2,3-dibromodecanoic acid
CID 101474069
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
CID 150377989
CID 150377989
calcium 2,2-didodecylpropanedioate
CID 153423845
2-bromo-2-chlorooctadecanoic acid
CID 154381060
2-bromo-2-butyloctanoyl chloride
CID 178066892
12-bromo-12-undecyltricosane
CID 88743185
1,1,1-tribromononadecane
CID 118275809
1,1,1-tribromopentadecane
CID 118275781

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromodecan-2-one?
The IUPAC name of 3,3-dibromodecan-2-one (CID 155730297) is 3,3-dibromodecan-2-one.
What is the SMILES notation for 3,3-dibromodecan-2-one?
The canonical SMILES for 3,3-dibromodecan-2-one is CCCCCCCC(Br)(Br)C(C)=O.
What is the InChIKey of 3,3-dibromodecan-2-one?
The InChIKey is OMEZBHJZTSRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2O/c1-3-4-5-6-7-8-10(11,12)9(2)13/h3-8H2,1-2H3.
What are the key properties of 3,3-dibromodecan-2-one?
3,3-dibromodecan-2-one has a molecular weight of 314.06 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromodecan-2-one is sourced from PubChem (CID 155730297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).