bis(2-prop-2-enoyloxyethenyl) butanedioate

C14H14O8 — CID 175454697

IUPACbis(2-prop-2-enoyloxyethenyl) butanedioate
SMILESC=CC(=O)OC=COC(=O)CCC(=O)OC=COC(=O)C=C
InChIInChI=1S/C14H14O8/c1-3-11(15)19-7-9-21-13(17)5-6-14(18)22-10-8-20-12(16)4-2/h3-4,7-10H,1-2,5-6H2
InChIKeySWZBHSUUXKHHTQ-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.25
Rot. Bonds9

About bis(2-prop-2-enoyloxyethenyl) butanedioate

bis(2-prop-2-enoyloxyethenyl) butanedioate (PubChem CID 175454697) has the molecular formula C14H14O8 and a molecular weight of 310.26 g/mol. Its IUPAC name is bis(2-prop-2-enoyloxyethenyl) butanedioate.

Molecular Properties

Compound Namebis(2-prop-2-enoyloxyethenyl) butanedioate
PubChem CID175454697
Molecular FormulaC14H14O8
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Namebis(2-prop-2-enoyloxyethenyl) butanedioate
SMILESC=CC(=O)OC=COC(=O)CCC(=O)OC=COC(=O)C=C
InChIInChI=1S/C14H14O8/c1-3-11(15)19-7-9-21-13(17)5-6-14(18)22-10-8-20-12(16)4-2/h3-4,7-10H,1-2,5-6H2
InChIKeySWZBHSUUXKHHTQ-UHFFFAOYSA-N
XLogP1.25
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-oxoprop-1-enyl prop-2-enoate
CID 54470635
(E)-3-prop-2-enoyloxyprop-2-enoic acid
CID 14647351
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate
CID 164848684
4-methylpent-1-enyl prop-2-enoate
CID 141310701
trimethyl(2-prop-2-enoyloxyethenyl)azanium
CID 171617100
hex-1-enyl prop-2-enoate
CID 54292849
(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate
CID 175477221
diprop-2-enoyl pentanedioate
CID 54164041
sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid
CID 175226552
hept-1-enyl prop-2-enoate
CID 91566435
azane;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803065

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-2-enoyloxyethenyl) butanedioate?
The IUPAC name of bis(2-prop-2-enoyloxyethenyl) butanedioate (CID 175454697) is bis(2-prop-2-enoyloxyethenyl) butanedioate.
What is the SMILES notation for bis(2-prop-2-enoyloxyethenyl) butanedioate?
The canonical SMILES for bis(2-prop-2-enoyloxyethenyl) butanedioate is C=CC(=O)OC=COC(=O)CCC(=O)OC=COC(=O)C=C.
What is the InChIKey of bis(2-prop-2-enoyloxyethenyl) butanedioate?
The InChIKey is SWZBHSUUXKHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O8/c1-3-11(15)19-7-9-21-13(17)5-6-14(18)22-10-8-20-12(16)4-2/h3-4,7-10H,1-2,5-6H2.
What are the key properties of bis(2-prop-2-enoyloxyethenyl) butanedioate?
bis(2-prop-2-enoyloxyethenyl) butanedioate has a molecular weight of 310.26 g/mol, XLogP of 1.25, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-2-enoyloxyethenyl) butanedioate is sourced from PubChem (CID 175454697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).