2,3-diethylnon-2-enoic acid

C13H24O2 — CID 150517342

IUPAC2,3-diethylnon-2-enoic acid
SMILESCCCCCCC(CC)=C(CC)C(=O)O
InChIInChI=1S/C13H24O2/c1-4-7-8-9-10-11(5-2)12(6-3)13(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyIBBZCNBIPSBQKT-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.16
Rot. Bonds8

About 2,3-diethylnon-2-enoic acid

2,3-diethylnon-2-enoic acid (PubChem CID 150517342) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,3-diethylnon-2-enoic acid.

Molecular Properties

Compound Name2,3-diethylnon-2-enoic acid
PubChem CID150517342
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,3-diethylnon-2-enoic acid
SMILESCCCCCCC(CC)=C(CC)C(=O)O
InChIInChI=1S/C13H24O2/c1-4-7-8-9-10-11(5-2)12(6-3)13(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyIBBZCNBIPSBQKT-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-ethyl-2-hexylnon-2-enoic acid
CID 21314370
3-ethyl-2-hexyloctadec-2-enoic acid
CID 87170492
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
(Z)-3-ethyl-2-methylhenicos-2-enoic acid
CID 87705317
2-butyl-3-octylbut-2-enedioic acid
CID 54144234
2-butan-2-ylideneoctanoic acid
CID 173391437
3-(2-aminoethyl)-2-hexyloct-2-enoic acid
CID 154478016
(E)-3-cyano-2-ethylnon-2-enoic acid
CID 87122960
(Z)-2-methyl-3-undecylbut-2-enedioic acid
CID 142696116
(Z)-dodec-3-ene-1,3,4-tricarboxylic acid
CID 121299760
10-butyl-11-ethyldocos-10-ene
CID 57219160
6-butyl-7-ethyltetradec-6-ene
CID 57142303

Frequently Asked Questions

What is the IUPAC name of 2,3-diethylnon-2-enoic acid?
The IUPAC name of 2,3-diethylnon-2-enoic acid (CID 150517342) is 2,3-diethylnon-2-enoic acid.
What is the SMILES notation for 2,3-diethylnon-2-enoic acid?
The canonical SMILES for 2,3-diethylnon-2-enoic acid is CCCCCCC(CC)=C(CC)C(=O)O.
What is the InChIKey of 2,3-diethylnon-2-enoic acid?
The InChIKey is IBBZCNBIPSBQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-7-8-9-10-11(5-2)12(6-3)13(14)15/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 2,3-diethylnon-2-enoic acid?
2,3-diethylnon-2-enoic acid has a molecular weight of 212.33 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylnon-2-enoic acid is sourced from PubChem (CID 150517342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).