(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid

C14H24O3 — CID 175456584

IUPAC(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid
SMILESCCC(CC)C(=O)/C=C(\C(=O)O)C(CC)CC
InChIInChI=1S/C14H24O3/c1-5-10(6-2)12(14(16)17)9-13(15)11(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,16,17)/b12-9-
InChIKeyGQBXAHIQQITGHF-XFXZXTDPSA-N
MW240.34 g/mol
LogP3.44
Rot. Bonds8

About (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid

(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid (PubChem CID 175456584) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid
PubChem CID175456584
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid
SMILESCCC(CC)C(=O)/C=C(\C(=O)O)C(CC)CC
InChIInChI=1S/C14H24O3/c1-5-10(6-2)12(14(16)17)9-13(15)11(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,16,17)/b12-9-
InChIKeyGQBXAHIQQITGHF-XFXZXTDPSA-N
XLogP3.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-methyl-4-oxohept-2-enoic acid
CID 173318220
3,7-diethyl-4-hydroxy-6-oxonon-4-enenitrile
CID 174020186
3-ethyl-2-oxopentanal
CID 54305877
diethyl 2-[(E)-but-2-en-2-yl]propanedioate;(E)-2-pentan-3-ylbut-2-enedioic acid
CID 175822658
2-ethylidene-3-methylpentanoic acid
CID 53446763
(Z)-2-pentacosan-13-ylbut-2-enedioic acid
CID 150863616
3,7-diethyl-6-hydroxy-7-(trifluoromethyl)non-5-en-4-one
CID 156621974
2-(cyclopentadecylmethylidene)-3-ethylpentanoic acid
CID 173093496
(Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one
CID 170678479
(2Z,4Z)-2,5-di(butan-2-yl)hexa-2,4-dienedioic acid
CID 87065606
2-(2-amino-2-oxoethylidene)-3-methylpentanoic acid
CID 54203182
CID 87086045
CID 87086045

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid?
The IUPAC name of (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid (CID 175456584) is (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid.
What is the SMILES notation for (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid?
The canonical SMILES for (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid is CCC(CC)C(=O)/C=C(\C(=O)O)C(CC)CC.
What is the InChIKey of (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid?
The InChIKey is GQBXAHIQQITGHF-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-10(6-2)12(14(16)17)9-13(15)11(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,16,17)/b12-9-.
What are the key properties of (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid?
(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid has a molecular weight of 240.34 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid is sourced from PubChem (CID 175456584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).