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

C20H24O8 — CID 173228436

IUPACbis(prop-2-enyl) but-2-enedioate
SMILESC=CCOC(=O)C=CC(=O)OCC=C.C=CCOC(=O)C=CC(=O)OCC=C
InChIInChI=1S/2C10H12O4/c2*1-3-7-13-9(11)5-6-10(12)14-8-4-2/h2*3-6H,1-2,7-8H2
InChIKeyACSXAKCLJQSISX-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.00
Rot. Bonds12

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

bis(prop-2-enyl) but-2-enedioate (PubChem CID 173228436) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is bis(prop-2-enyl) but-2-enedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) but-2-enedioate
PubChem CID173228436
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Namebis(prop-2-enyl) but-2-enedioate
SMILESC=CCOC(=O)C=CC(=O)OCC=C.C=CCOC(=O)C=CC(=O)OCC=C
InChIInChI=1S/2C10H12O4/c2*1-3-7-13-9(11)5-6-10(12)14-8-4-2/h2*3-6H,1-2,7-8H2
InChIKeyACSXAKCLJQSISX-UHFFFAOYSA-N
XLogP2.00
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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
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) but-2-enedioate?
The IUPAC name of bis(prop-2-enyl) but-2-enedioate (CID 173228436) is bis(prop-2-enyl) but-2-enedioate.
What is the SMILES notation for bis(prop-2-enyl) but-2-enedioate?
The canonical SMILES for bis(prop-2-enyl) but-2-enedioate is C=CCOC(=O)C=CC(=O)OCC=C.C=CCOC(=O)C=CC(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) but-2-enedioate?
The InChIKey is ACSXAKCLJQSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O4/c2*1-3-7-13-9(11)5-6-10(12)14-8-4-2/h2*3-6H,1-2,7-8H2.
What are the key properties of bis(prop-2-enyl) but-2-enedioate?
bis(prop-2-enyl) but-2-enedioate has a molecular weight of 392.40 g/mol, XLogP of 2.00, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) but-2-enedioate is sourced from PubChem (CID 173228436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).