butanedioic acid;ethene

C8H14O4 — CID 87532899

IUPACbutanedioic acid;ethene
SMILESC=C.C=C.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.2C2H4/c5-3(6)1-2-4(7)8;2*1-2/h1-2H2,(H,5,6)(H,7,8);2*1-2H2
InChIKeyJCXNPKNKZALDRK-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.54
Rot. Bonds3

About butanedioic acid;ethene

butanedioic acid;ethene (PubChem CID 87532899) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is butanedioic acid;ethene.

Molecular Properties

Compound Namebutanedioic acid;ethene
PubChem CID87532899
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namebutanedioic acid;ethene
SMILESC=C.C=C.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.2C2H4/c5-3(6)1-2-4(7)8;2*1-2/h1-2H2,(H,5,6)(H,7,8);2*1-2H2
InChIKeyJCXNPKNKZALDRK-UHFFFAOYSA-N
XLogP1.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
ethene;hexanedioic acid
CID 173462672
4-hydroxypent-4-enoic acid
CID 19591824
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
heptakis(decanedioic acid);ethene
CID 173236204

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;ethene?
The IUPAC name of butanedioic acid;ethene (CID 87532899) is butanedioic acid;ethene.
What is the SMILES notation for butanedioic acid;ethene?
The canonical SMILES for butanedioic acid;ethene is C=C.C=C.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;ethene?
The InChIKey is JCXNPKNKZALDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.2C2H4/c5-3(6)1-2-4(7)8;2*1-2/h1-2H2,(H,5,6)(H,7,8);2*1-2H2.
What are the key properties of butanedioic acid;ethene?
butanedioic acid;ethene has a molecular weight of 174.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;ethene is sourced from PubChem (CID 87532899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).