2-ethenyltetradecanedioic acid

C16H28O4 — CID 87751362

IUPAC2-ethenyltetradecanedioic acid
SMILESC=CC(CCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C16H28O4/c1-2-14(16(19)20)12-10-8-6-4-3-5-7-9-11-13-15(17)18/h2,14H,1,3-13H2,(H,17,18)(H,19,20)
InChIKeyHDOYUELBXNUMOR-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.25
Rot. Bonds14

About 2-ethenyltetradecanedioic acid

2-ethenyltetradecanedioic acid (PubChem CID 87751362) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethenyltetradecanedioic acid.

Molecular Properties

Compound Name2-ethenyltetradecanedioic acid
PubChem CID87751362
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-ethenyltetradecanedioic acid
SMILESC=CC(CCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C16H28O4/c1-2-14(16(19)20)12-10-8-6-4-3-5-7-9-11-13-15(17)18/h2,14H,1,3-13H2,(H,17,18)(H,19,20)
InChIKeyHDOYUELBXNUMOR-UHFFFAOYSA-N
XLogP4.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.25
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-ethenyltridecanedioic acid
CID 87254012
(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
hexadecane-1,6,7,16-tetracarboxylic acid
CID 90941074
henicosane-1,11,21-tricarboxylic acid
CID 12632759
(2R)-2-ethenylhex-5-enoic acid
CID 91757207
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-ethenyltetradecanedioic acid?
The IUPAC name of 2-ethenyltetradecanedioic acid (CID 87751362) is 2-ethenyltetradecanedioic acid.
What is the SMILES notation for 2-ethenyltetradecanedioic acid?
The canonical SMILES for 2-ethenyltetradecanedioic acid is C=CC(CCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-ethenyltetradecanedioic acid?
The InChIKey is HDOYUELBXNUMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-14(16(19)20)12-10-8-6-4-3-5-7-9-11-13-15(17)18/h2,14H,1,3-13H2,(H,17,18)(H,19,20).
What are the key properties of 2-ethenyltetradecanedioic acid?
2-ethenyltetradecanedioic acid has a molecular weight of 284.40 g/mol, XLogP of 4.25, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyltetradecanedioic acid is sourced from PubChem (CID 87751362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).