2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid

C16H22O4 — CID 6455364

IUPAC2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
SMILESC/C=C/C(/C=C/C)(C(=O)O)C(/C=C/C)(/C=C/C)C(=O)O
InChIInChI=1S/C16H22O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5-12H,1-4H3,(H,17,18)(H,19,20)/b9-5+,10-6+,11-7+,12-8+
InChIKeyGGQRKYMKYMRZTF-HFBXSBKTSA-N
MW278.35 g/mol
LogP3.43
Rot. Bonds7

About 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid

2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid (PubChem CID 6455364) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid.

Molecular Properties

Compound Name2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
PubChem CID6455364
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
SMILESC/C=C/C(/C=C/C)(C(=O)O)C(/C=C/C)(/C=C/C)C(=O)O
InChIInChI=1S/C16H22O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5-12H,1-4H3,(H,17,18)(H,19,20)/b9-5+,10-6+,11-7+,12-8+
InChIKeyGGQRKYMKYMRZTF-HFBXSBKTSA-N
XLogP3.43
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
The IUPAC name of 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid (CID 6455364) is 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid.
What is the SMILES notation for 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
The canonical SMILES for 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid is C/C=C/C(/C=C/C)(C(=O)O)C(/C=C/C)(/C=C/C)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
The InChIKey is GGQRKYMKYMRZTF-HFBXSBKTSA-N. The full InChI is InChI=1S/C16H22O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5-12H,1-4H3,(H,17,18)(H,19,20)/b9-5+,10-6+,11-7+,12-8+.
What are the key properties of 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid?
2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid has a molecular weight of 278.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid is sourced from PubChem (CID 6455364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).