3-(2-bromopropanoyloxy)propyl 2-bromopropanoate

C9H14Br2O4 — CID 87557044

IUPAC3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCCCOC(=O)C(C)Br
InChIInChI=1S/C9H14Br2O4/c1-6(10)8(12)14-4-3-5-15-9(13)7(2)11/h6-7H,3-5H2,1-2H3
InChIKeyVZAMPIHJMSQCQF-UHFFFAOYSA-N
MW346.02 g/mol
LogP2.03
Rot. Bonds6

About 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate

3-(2-bromopropanoyloxy)propyl 2-bromopropanoate (PubChem CID 87557044) has the molecular formula C9H14Br2O4 and a molecular weight of 346.02 g/mol. Its IUPAC name is 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate.

Molecular Properties

Compound Name3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
PubChem CID87557044
Molecular FormulaC9H14Br2O4
Molecular Weight346.02 g/mol
Exact Mass343.93
IUPAC Name3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCCCOC(=O)C(C)Br
InChIInChI=1S/C9H14Br2O4/c1-6(10)8(12)14-4-3-5-15-9(13)7(2)11/h6-7H,3-5H2,1-2H3
InChIKeyVZAMPIHJMSQCQF-UHFFFAOYSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
CID 150415152
6-trichlorosilylhexyl 2-bromopropanoate
CID 59215465
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
ethyl (2R)-2-bromopropanoate
CID 7003709
3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
CID 124675355
5-hydroperoxyhept-6-enyl 2-bromopropanoate
CID 58113192
2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene
CID 88920801
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-[bis(2-hydroxyethyl)amino]ethyl 2-bromopropanoate
CID 162508602
[3-(2-bromopropanoyloxy)-2,2-bis(2-bromopropanoyloxymethyl)propyl] 2-bromopropanoate
CID 20826094
phosphonatomethyl 2-bromopropanoate
CID 21281516
3-methoxypropyl 2-sulfanylpropanoate
CID 107018238

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate?
The IUPAC name of 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate (CID 87557044) is 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate.
What is the SMILES notation for 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate?
The canonical SMILES for 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate is CC(Br)C(=O)OCCCOC(=O)C(C)Br.
What is the InChIKey of 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate?
The InChIKey is VZAMPIHJMSQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2O4/c1-6(10)8(12)14-4-3-5-15-9(13)7(2)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate?
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate has a molecular weight of 346.02 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromopropanoyloxy)propyl 2-bromopropanoate is sourced from PubChem (CID 87557044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).