6,6-dibromohexanoic acid

C6H10Br2O2 — CID 87666257

IUPAC6,6-dibromohexanoic acid
SMILESO=C(O)CCCCC(Br)Br
InChIInChI=1S/C6H10Br2O2/c7-5(8)3-1-2-4-6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyMYXBXWDNEBMDPU-UHFFFAOYSA-N
MW273.95 g/mol
LogP2.75
Rot. Bonds5

About 6,6-dibromohexanoic acid

6,6-dibromohexanoic acid (PubChem CID 87666257) has the molecular formula C6H10Br2O2 and a molecular weight of 273.95 g/mol. Its IUPAC name is 6,6-dibromohexanoic acid.

Molecular Properties

Compound Name6,6-dibromohexanoic acid
PubChem CID87666257
Molecular FormulaC6H10Br2O2
Molecular Weight273.95 g/mol
Exact Mass271.90
IUPAC Name6,6-dibromohexanoic acid
SMILESO=C(O)CCCCC(Br)Br
InChIInChI=1S/C6H10Br2O2/c7-5(8)3-1-2-4-6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyMYXBXWDNEBMDPU-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.95
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

5,5-dibromopentanoic acid
CID 54289064
6-bromoheptanoic acid
CID 18767531
15-bromohexadecanoic acid
CID 22242436
6,12-diaminoheptadecanedioic acid
CID 23455605
7,8-dihydroxyhexadecanedioic acid
CID 14556981
(9S,10R)-9,10-dibromooctadecanoic acid
CID 71775444
(6S,7R)-6,7-dibromooctadecanoic acid
CID 98093279
12-bromooctadecanoic acid
CID 5312947
(13S,14S)-13,14-dibromodocosanoic acid
CID 101388571
6-methyl-7-oxooctanoic acid
CID 71756573
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of 6,6-dibromohexanoic acid?
The IUPAC name of 6,6-dibromohexanoic acid (CID 87666257) is 6,6-dibromohexanoic acid.
What is the SMILES notation for 6,6-dibromohexanoic acid?
The canonical SMILES for 6,6-dibromohexanoic acid is O=C(O)CCCCC(Br)Br.
What is the InChIKey of 6,6-dibromohexanoic acid?
The InChIKey is MYXBXWDNEBMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O2/c7-5(8)3-1-2-4-6(9)10/h5H,1-4H2,(H,9,10).
What are the key properties of 6,6-dibromohexanoic acid?
6,6-dibromohexanoic acid has a molecular weight of 273.95 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dibromohexanoic acid is sourced from PubChem (CID 87666257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).