2-bromopropanoyloxymethyl 2-bromopropanoate

C7H10Br2O4 — CID 146451354

IUPAC2-bromopropanoyloxymethyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCOC(=O)C(C)Br
InChIInChI=1S/C7H10Br2O4/c1-4(8)6(10)12-3-13-7(11)5(2)9/h4-5H,3H2,1-2H3
InChIKeyHAHNIYRHJFOMET-UHFFFAOYSA-N
MW317.96 g/mol
LogP1.60
Rot. Bonds4

About 2-bromopropanoyloxymethyl 2-bromopropanoate

2-bromopropanoyloxymethyl 2-bromopropanoate (PubChem CID 146451354) has the molecular formula C7H10Br2O4 and a molecular weight of 317.96 g/mol. Its IUPAC name is 2-bromopropanoyloxymethyl 2-bromopropanoate.

Molecular Properties

Compound Name2-bromopropanoyloxymethyl 2-bromopropanoate
PubChem CID146451354
Molecular FormulaC7H10Br2O4
Molecular Weight317.96 g/mol
Exact Mass315.89
IUPAC Name2-bromopropanoyloxymethyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCOC(=O)C(C)Br
InChIInChI=1S/C7H10Br2O4/c1-4(8)6(10)12-3-13-7(11)5(2)9/h4-5H,3H2,1-2H3
InChIKeyHAHNIYRHJFOMET-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

ethyl (2R)-2-bromopropanoate
CID 7003709
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044
[3-(2-bromopropanoyloxy)-2,2-bis(2-bromopropanoyloxymethyl)propyl] 2-bromopropanoate
CID 20826094
phosphonatomethyl 2-bromopropanoate
CID 21281516
phosphanyl 2-bromopropanoate
CID 22086776
propanoyl 2-bromopropanoate
CID 87180539
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605
tert-butyl (2S)-2-bromopropanoate
CID 12882378
[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
CID 155408739
methyl-[1-[2-(methylazaniumyl)propanoyloxymethoxy]-1-oxopropan-2-yl]azanium
CID 59032041

Frequently Asked Questions

What is the IUPAC name of 2-bromopropanoyloxymethyl 2-bromopropanoate?
The IUPAC name of 2-bromopropanoyloxymethyl 2-bromopropanoate (CID 146451354) is 2-bromopropanoyloxymethyl 2-bromopropanoate.
What is the SMILES notation for 2-bromopropanoyloxymethyl 2-bromopropanoate?
The canonical SMILES for 2-bromopropanoyloxymethyl 2-bromopropanoate is CC(Br)C(=O)OCOC(=O)C(C)Br.
What is the InChIKey of 2-bromopropanoyloxymethyl 2-bromopropanoate?
The InChIKey is HAHNIYRHJFOMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2O4/c1-4(8)6(10)12-3-13-7(11)5(2)9/h4-5H,3H2,1-2H3.
What are the key properties of 2-bromopropanoyloxymethyl 2-bromopropanoate?
2-bromopropanoyloxymethyl 2-bromopropanoate 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-bromopropanoyloxymethyl 2-bromopropanoate is sourced from PubChem (CID 146451354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).