[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate

C9H12Br2O4 — CID 4593962

IUPAC[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate
SMILESO=C(CBr)OC1CCCC1OC(=O)CBr
InChIInChI=1S/C9H12Br2O4/c10-4-8(12)14-6-2-1-3-7(6)15-9(13)5-11/h6-7H,1-5H2
InChIKeyWKEITRUAGBIINU-UHFFFAOYSA-N
MW344.00 g/mol
LogP1.78
Rot. Bonds4

About [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate

[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate (PubChem CID 4593962) has the molecular formula C9H12Br2O4 and a molecular weight of 344.00 g/mol. Its IUPAC name is [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate.

Molecular Properties

Compound Name[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate
PubChem CID4593962
Molecular FormulaC9H12Br2O4
Molecular Weight344.00 g/mol
Exact Mass341.91
IUPAC Name[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate
SMILESO=C(CBr)OC1CCCC1OC(=O)CBr
InChIInChI=1S/C9H12Br2O4/c10-4-8(12)14-6-2-1-3-7(6)15-9(13)5-11/h6-7H,1-5H2
InChIKeyWKEITRUAGBIINU-UHFFFAOYSA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
CID 66838370
[2-(3-sulfanylpropanoyloxy)cyclohexyl] 3-sulfanylpropanoate
CID 90219367
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
[(1R,2S)-2-hex-5-enoyloxycyclopentyl] hex-5-enoate
CID 10880935
3,5-bis[(2-bromoacetyl)oxy]cyclohexane-1-carboxylic acid
CID 155786591
[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate
CID 24959020
cyclobutyl 4-bromobutanoate
CID 591081
[(1S,2R)-2-carboxyoxycyclohexyl] hydrogen carbonate
CID 57178626
(3-oxocyclopentyl) 2-bromoacetate
CID 155620177
(2-methylcyclohexyl) propanoate
CID 546179
[(1R,2S)-2-cyanocyclopentyl] propanoate
CID 124660836
[(1S,2S)-2-aminocyclohexyl] propanoate
CID 67429872

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate?
The IUPAC name of [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate (CID 4593962) is [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate.
What is the SMILES notation for [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate?
The canonical SMILES for [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate is O=C(CBr)OC1CCCC1OC(=O)CBr.
What is the InChIKey of [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate?
The InChIKey is WKEITRUAGBIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2O4/c10-4-8(12)14-6-2-1-3-7(6)15-9(13)5-11/h6-7H,1-5H2.
What are the key properties of [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate?
[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate has a molecular weight of 344.00 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate is sourced from PubChem (CID 4593962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).