2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene

C17H26Br4O8 — CID 88920801

IUPAC2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene
SMILESC=C.CC(Br)C(=O)OCCOC(=O)C(C)Br.O=C(O)C(Br)CCCC(Br)C(=O)O
InChIInChI=1S/C8H12Br2O4.C7H10Br2O4.C2H4/c1-5(9)7(11)13-3-4-14-8(12)6(2)10;8-4(6(10)11)2-1-3-5(9)7(12)13;1-2/h5-6H,3-4H2,1-2H3;4-5H,1-3H2,(H,10,11)(H,12,13);1-2H2
InChIKeyYUIBQFUGGCEYMW-UHFFFAOYSA-N
MW678.00 g/mol
LogP4.29
Rot. Bonds11

About 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene

2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene (PubChem CID 88920801) has the molecular formula C17H26Br4O8 and a molecular weight of 678.00 g/mol. Its IUPAC name is 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene.

Molecular Properties

Compound Name2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene
PubChem CID88920801
Molecular FormulaC17H26Br4O8
Molecular Weight678.00 g/mol
Exact Mass673.84
IUPAC Name2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene
SMILESC=C.CC(Br)C(=O)OCCOC(=O)C(C)Br.O=C(O)C(Br)CCCC(Br)C(=O)O
InChIInChI=1S/C8H12Br2O4.C7H10Br2O4.C2H4/c1-5(9)7(11)13-3-4-14-8(12)6(2)10;8-4(6(10)11)2-1-3-5(9)7(12)13;1-2/h5-6H,3-4H2,1-2H3;4-5H,1-3H2,(H,10,11)(H,12,13);1-2H2
InChIKeyYUIBQFUGGCEYMW-UHFFFAOYSA-N
XLogP4.29
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.00
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromoheptanedioic acid
CID 16637483
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-bromohexanoic acid;ethane
CID 88646283
5-hydroperoxyhept-6-enyl 2-bromopropanoate
CID 58113192
(2R)-2-bromoundecanoic acid
CID 98062248
2-bromopentatriacontanoic acid
CID 141388302
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
[3-(2-bromopropanoyloxy)-2,2-bis(2-bromopropanoyloxymethyl)propyl] 2-bromopropanoate
CID 20826094
2-bromo-20-ethoxy-20-oxoicosanoic acid
CID 175399012
2-bromohexadecanoic acid;silver
CID 87909572
4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
CID 150415152

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene?
The IUPAC name of 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene (CID 88920801) is 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene.
What is the SMILES notation for 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene?
The canonical SMILES for 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene is C=C.CC(Br)C(=O)OCCOC(=O)C(C)Br.O=C(O)C(Br)CCCC(Br)C(=O)O.
What is the InChIKey of 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene?
The InChIKey is YUIBQFUGGCEYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2O4.C7H10Br2O4.C2H4/c1-5(9)7(11)13-3-4-14-8(12)6(2)10;8-4(6(10)11)2-1-3-5(9)7(12)13;1-2/h5-6H,3-4H2,1-2H3;4-5H,1-3H2,(H,10,11)(H,12,13);1-2H2.
What are the key properties of 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene?
2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene has a molecular weight of 678.00 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene is sourced from PubChem (CID 88920801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).