2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate

C7H10Br2O4 — CID 87991536

IUPAC2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate
SMILESCC(C)(OC(=O)CBr)OC(=O)CBr
InChIInChI=1S/C7H10Br2O4/c1-7(2,12-5(10)3-8)13-6(11)4-9/h3-4H2,1-2H3
InChIKeyBNLDCMXIOPOVTM-UHFFFAOYSA-N
MW317.96 g/mol
LogP1.60
Rot. Bonds4

About 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate

2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate (PubChem CID 87991536) has the molecular formula C7H10Br2O4 and a molecular weight of 317.96 g/mol. Its IUPAC name is 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate.

Molecular Properties

Compound Name2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate
PubChem CID87991536
Molecular FormulaC7H10Br2O4
Molecular Weight317.96 g/mol
Exact Mass315.89
IUPAC Name2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate
SMILESCC(C)(OC(=O)CBr)OC(=O)CBr
InChIInChI=1S/C7H10Br2O4/c1-7(2,12-5(10)3-8)13-6(11)4-9/h3-4H2,1-2H3
InChIKeyBNLDCMXIOPOVTM-UHFFFAOYSA-N
XLogP1.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.96
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(2-bromoacetyl)oxy-2-methylpentan-3-yl]oxy-2-methylpentan-2-yl] 2-bromoacetate
CID 20547445
2-bromoacetyl bromide;tert-butyl 2-bromoacetate;dichloromethane;2-methylpropan-2-ol
CID 167572644
2-methyloctan-2-yl 2-bromoacetate
CID 166542416
methyl 2-bromoacetate
CID 10487067
cyano 2-bromoacetate
CID 129281061
bis(2-chloropropan-2-yl) propanedioate
CID 174722214
tert-butyl 2-(bromomethyl)prop-2-enoate
CID 10955115
2-methoxypropan-2-yl 3-hydroxypropanoate
CID 88855953
(2-methyl-2-nitropropyl) 2-bromoacetate
CID 154217434
1-hydroxyethyl 2-bromoacetate
CID 139604093
3-methylbut-2-en-2-yl 2-bromoacetate
CID 87891994
tert-butyl 2-aminoacetate;ethane
CID 143116857

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate?
The IUPAC name of 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate (CID 87991536) is 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate.
What is the SMILES notation for 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate?
The canonical SMILES for 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate is CC(C)(OC(=O)CBr)OC(=O)CBr.
What is the InChIKey of 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate?
The InChIKey is BNLDCMXIOPOVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2O4/c1-7(2,12-5(10)3-8)13-6(11)4-9/h3-4H2,1-2H3.
What are the key properties of 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate?
2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate has a molecular weight of 317.96 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoacetyl)oxypropan-2-yl 2-bromoacetate is sourced from PubChem (CID 87991536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).