bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate

C10H12O5 — CID 134117431

IUPACbis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate
SMILESC=CCOC(=O)/C=C(\O)C(=O)OCC=C
InChIInChI=1S/C10H12O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h3-4,7,11H,1-2,5-6H2/b8-7-
InChIKeyZUANUXPXATUXCA-FPLPWBNLSA-N
MW212.20 g/mol
LogP0.89
Rot. Bonds6

About bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate

bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate (PubChem CID 134117431) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate
PubChem CID134117431
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namebis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate
SMILESC=CCOC(=O)/C=C(\O)C(=O)OCC=C
InChIInChI=1S/C10H12O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h3-4,7,11H,1-2,5-6H2/b8-7-
InChIKeyZUANUXPXATUXCA-FPLPWBNLSA-N
XLogP0.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
methane;prop-2-enyl prop-2-enoate
CID 87568259
carbamic acid;prop-2-enyl carbamate
CID 87466810
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
2-oxo-2-prop-2-enoxyacetate
CID 18533281
benzene;prop-2-enyl carbamate
CID 174893735
prop-2-enyl (Z)-3-acetyloxybut-2-enoate
CID 20836239
prop-2-enyl 3,4,4-trimethylpent-2-enoate
CID 123572004
tetrakis(2-oxo-2-prop-2-enoxyacetate);titanium(4+)
CID 173131012
(2Z)-3-prop-2-enoxycarbonyl-2-prop-2-enylhexa-2,5-dienoic acid
CID 67788544
prop-2-enyl 2-methylidenebutanoate
CID 12684713

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate?
The IUPAC name of bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate (CID 134117431) is bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate.
What is the SMILES notation for bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate?
The canonical SMILES for bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate is C=CCOC(=O)/C=C(\O)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate?
The InChIKey is ZUANUXPXATUXCA-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h3-4,7,11H,1-2,5-6H2/b8-7-.
What are the key properties of bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate?
bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate has a molecular weight of 212.20 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (Z)-2-hydroxybut-2-enedioate is sourced from PubChem (CID 134117431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).