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

C10H12O4 — CID 5354266

IUPACbis(prop-2-enyl) (Z)-but-2-enedioate
SMILESC=CCOC(=O)/C=C\C(=O)OCC=C
InChIInChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-
InChIKeyZPOLOEWJWXZUSP-WAYWQWQTSA-N
MW196.20 g/mol
LogP1.00
Rot. Bonds6

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

bis(prop-2-enyl) (Z)-but-2-enedioate (PubChem CID 5354266) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is bis(prop-2-enyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) (Z)-but-2-enedioate
PubChem CID5354266
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namebis(prop-2-enyl) (Z)-but-2-enedioate
SMILESC=CCOC(=O)/C=C\C(=O)OCC=C
InChIInChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-
InChIKeyZPOLOEWJWXZUSP-WAYWQWQTSA-N
XLogP1.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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) but-2-enedioate
CID 173228436
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
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 119024225
prop-2-enyl 3-cyanoprop-2-enoate
CID 54340551
methane;prop-2-enyl prop-2-enoate
CID 87568259
1-O-decyl 4-O-prop-2-enyl (E)-but-2-enedioate
CID 91698054
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
prop-2-enyl 4-formyloxybut-2-enoate
CID 173056618
prop-2-enyl (E)-5-methylhex-2-enoate
CID 87327194

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (Z)-but-2-enedioate?
The IUPAC name of bis(prop-2-enyl) (Z)-but-2-enedioate (CID 5354266) is bis(prop-2-enyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(prop-2-enyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(prop-2-enyl) (Z)-but-2-enedioate is C=CCOC(=O)/C=C\C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) (Z)-but-2-enedioate?
The InChIKey is ZPOLOEWJWXZUSP-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-.
What are the key properties of bis(prop-2-enyl) (Z)-but-2-enedioate?
bis(prop-2-enyl) (Z)-but-2-enedioate has a molecular weight of 196.20 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (Z)-but-2-enedioate is sourced from PubChem (CID 5354266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).