2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid

C16H22O4 — CID 15932745

IUPAC2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid
SMILESC=CCC(CC=C)(C(=O)O)C(CC=C)(CC=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/h5-8H,1-4,9-12H2,(H,17,18)(H,19,20)
InChIKeyGSONHGLQHNTBED-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.43
Rot. Bonds11

About 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid

2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid (PubChem CID 15932745) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid.

Molecular Properties

Compound Name2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid
PubChem CID15932745
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid
SMILESC=CCC(CC=C)(C(=O)O)C(CC=C)(CC=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/h5-8H,1-4,9-12H2,(H,17,18)(H,19,20)
InChIKeyGSONHGLQHNTBED-UHFFFAOYSA-N
XLogP3.43
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
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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Related Compounds

1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboxylic acid
CID 265144
1-Methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 3019601
3,3-Dimethyl-4-cyclohexene-1,cis-2-dicarboxylic acid
CID 572394
2-Methyl-2-prop-2-enylbutanedioic acid
CID 13886846
2,2,3-Tri(prop-2-en-1-yl)-3-{[(prop-2-en-1-yl)oxy]carbonyl}hex-5-enoic acid
CID 53447331
2,2,3,3-Tetrakis(dec-2-enyl)butanedioic acid
CID 73717253
(2S)-2-methyl-2-prop-2-enylbutanedioic acid
CID 10821074
(1S,2S)-1-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 7113019
(1S,2R)-1-Methyl-4-cyclohexene-1,2-dicarboxylic acid
CID 11834952
2-[(E)-2,4,6-trimethylnon-3-en-2-yl]butanedioic acid
CID 14325605
(1R,2S)-1-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 18610443
3-Ethyl-2,2-bis(prop-2-enyl)butanedioic acid
CID 18781844

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid?
The IUPAC name of 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid (CID 15932745) is 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid.
What is the SMILES notation for 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid?
The canonical SMILES for 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid is C=CCC(CC=C)(C(=O)O)C(CC=C)(CC=C)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid?
The InChIKey is GSONHGLQHNTBED-UHFFFAOYSA-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/h5-8H,1-4,9-12H2,(H,17,18)(H,19,20).
What are the key properties of 2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid?
2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid has a molecular weight of 278.35 g/mol, XLogP of 3.43, 11 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(prop-2-enyl)butanedioic acid is sourced from PubChem (CID 15932745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).