2-ethenyltridecanedioic acid

C15H26O4 — CID 87254012

IUPAC2-ethenyltridecanedioic acid
SMILESC=CC(CCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C15H26O4/c1-2-13(15(18)19)11-9-7-5-3-4-6-8-10-12-14(16)17/h2,13H,1,3-12H2,(H,16,17)(H,18,19)
InChIKeyJWUHIFZOJZUWKK-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.86
Rot. Bonds13

About 2-ethenyltridecanedioic acid

2-ethenyltridecanedioic acid (PubChem CID 87254012) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-ethenyltridecanedioic acid.

Molecular Properties

Compound Name2-ethenyltridecanedioic acid
PubChem CID87254012
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-ethenyltridecanedioic acid
SMILESC=CC(CCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C15H26O4/c1-2-13(15(18)19)11-9-7-5-3-4-6-8-10-12-14(16)17/h2,13H,1,3-12H2,(H,16,17)(H,18,19)
InChIKeyJWUHIFZOJZUWKK-UHFFFAOYSA-N
XLogP3.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyltetradecanedioic acid
CID 87751362
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
2-ethenyl-8,8-dimethylnonanoic acid
CID 54149492
2-ethenyl-6-methylheptanoic acid
CID 23167196
buta-1,3-diene;decanedioic acid
CID 87614862
(2S)-2-ethenylhex-5-enoic acid
CID 91757260
henicosane-1,11,21-tricarboxylic acid
CID 12632759
(2R)-2-ethenylhex-5-enoic acid
CID 91757207
hexadecane-1,6,7,16-tetracarboxylic acid
CID 90941074
decanedioic acid;prop-2-enoic acid
CID 87433899
2-ethenyl-7-iminoheptanoic acid
CID 123493568

Frequently Asked Questions

What is the IUPAC name of 2-ethenyltridecanedioic acid?
The IUPAC name of 2-ethenyltridecanedioic acid (CID 87254012) is 2-ethenyltridecanedioic acid.
What is the SMILES notation for 2-ethenyltridecanedioic acid?
The canonical SMILES for 2-ethenyltridecanedioic acid is C=CC(CCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-ethenyltridecanedioic acid?
The InChIKey is JWUHIFZOJZUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-2-13(15(18)19)11-9-7-5-3-4-6-8-10-12-14(16)17/h2,13H,1,3-12H2,(H,16,17)(H,18,19).
What are the key properties of 2-ethenyltridecanedioic acid?
2-ethenyltridecanedioic acid has a molecular weight of 270.37 g/mol, XLogP of 3.86, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyltridecanedioic acid is sourced from PubChem (CID 87254012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).