bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid

C20H24O8 — CID 119024225

IUPACbis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid
SMILESC=CC/C(C(=O)O)=C(\CC=C)C(=O)O.C=CCOC(=O)/C=C\C(=O)OCC=C
InChIInChI=1S/2C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2;1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-6H,1-2,7-8H2;3-4H,1-2,5-6H2,(H,11,12)(H,13,14)/b6-5-;8-7-
InChIKeyXNCWXCQACFBCSE-DRVISDEBSA-N
MW392.40 g/mol
LogP2.61
Rot. Bonds12

About bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid

bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid (PubChem CID 119024225) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid.

Molecular Properties

Compound Namebis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid
PubChem CID119024225
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Namebis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid
SMILESC=CC/C(C(=O)O)=C(\CC=C)C(=O)O.C=CCOC(=O)/C=C\C(=O)OCC=C
InChIInChI=1S/2C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2;1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-6H,1-2,7-8H2;3-4H,1-2,5-6H2,(H,11,12)(H,13,14)/b6-5-;8-7-
InChIKeyXNCWXCQACFBCSE-DRVISDEBSA-N
XLogP2.61
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
(2Z)-3-prop-2-enoxycarbonyl-2-prop-2-enylhexa-2,5-dienoic acid
CID 67788544
(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 87162043
4-O-amino 1-O-prop-2-enyl (Z)-but-2-enedioate
CID 88748858
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372
prop-2-enyl (Z)-3-bromoprop-2-enoate
CID 14906233
3-amino-2-prop-2-enylhexa-2,5-dienoic acid
CID 87149470
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
2-[hydroperoxy(hydroxy)methylidene]pent-4-enoic acid
CID 173434225
prop-2-enyl 3-cyanoprop-2-enoate
CID 54340551
methane;prop-2-enyl prop-2-enoate
CID 87568259

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
The IUPAC name of bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid (CID 119024225) is bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid.
What is the SMILES notation for bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
The canonical SMILES for bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid is C=CC/C(C(=O)O)=C(\CC=C)C(=O)O.C=CCOC(=O)/C=C\C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
The InChIKey is XNCWXCQACFBCSE-DRVISDEBSA-N. The full InChI is InChI=1S/2C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2;1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-6H,1-2,7-8H2;3-4H,1-2,5-6H2,(H,11,12)(H,13,14)/b6-5-;8-7-.
What are the key properties of bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid has a molecular weight of 392.40 g/mol, XLogP of 2.61, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid is sourced from PubChem (CID 119024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).