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

C16H22O4 — CID 53438504

IUPAC2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid
SMILESCC=CC(C=CC)(C(=O)O)C(C=CC)(C=CC)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)
InChIKeyGGQRKYMKYMRZTF-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.43
Rot. Bonds7

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

2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid (PubChem CID 53438504) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid.

Molecular Properties

Compound Name2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid
PubChem CID53438504
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid
SMILESCC=CC(C=CC)(C(=O)O)C(C=CC)(C=CC)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)
InChIKeyGGQRKYMKYMRZTF-UHFFFAOYSA-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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Related Compounds

Disodium tetrapropenyl succinate
CID 18000679
Butanedioic acid, 2-(dodecen-1-yl)-
CID 5463970
Butanedioic acid, 2-(tetrapropenyl)-, 1-methyl ester, strontium salt (2:1)
CID 44150316
Butanedioic acid, 2-(tetrapropenyl)-, potassium salt (1:2)
CID 85470825
Dodecenylsuccinic acid
CID 166693
1,2-Dimethylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 18778936
3-(Methoxycarbonyl)-2,2,3-tri(prop-1-en-1-yl)hex-4-enoate
CID 71371464
Hexenylsuccinic acid
CID 20436258
1.4-Dimethylphthalsaure
CID 22496637
Butenylsuccinic acid
CID 53797676
Monomethyldecenylsuccinic acid
CID 54069095
Tetrapropenylbernsteinsaure-mono-isopropylester
CID 54468831

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid?
The IUPAC name of 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid (CID 53438504) is 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid.
What is the SMILES notation for 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid?
The canonical SMILES for 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid is CC=CC(C=CC)(C(=O)O)C(C=CC)(C=CC)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid?
The InChIKey is GGQRKYMKYMRZTF-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/h5-12H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2,2,3,3-tetrakis(prop-1-enyl)butanedioic acid?
2,2,3,3-tetrakis(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(prop-1-enyl)butanedioic acid is sourced from PubChem (CID 53438504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).