(E)-14-oxotetradec-9-enoic acid

C14H24O3 — CID 118354621

IUPAC(E)-14-oxotetradec-9-enoic acid
SMILESO=CCCC/C=C/CCCCCCCC(=O)O
InChIInChI=1S/C14H24O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h3,5,13H,1-2,4,6-12H2,(H,16,17)/b5-3+
InChIKeyVFTJORZEIWWLRI-HWKANZROSA-N
MW240.34 g/mol
LogP3.73
Rot. Bonds12

About (E)-14-oxotetradec-9-enoic acid

(E)-14-oxotetradec-9-enoic acid (PubChem CID 118354621) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (E)-14-oxotetradec-9-enoic acid.

Molecular Properties

Compound Name(E)-14-oxotetradec-9-enoic acid
PubChem CID118354621
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(E)-14-oxotetradec-9-enoic acid
SMILESO=CCCC/C=C/CCCCCCCC(=O)O
InChIInChI=1S/C14H24O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h3,5,13H,1-2,4,6-12H2,(H,16,17)/b5-3+
InChIKeyVFTJORZEIWWLRI-HWKANZROSA-N
XLogP3.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(E)-10-oxodec-4-enoic acid
CID 6365679
(Z)-dodec-5-enedioic acid
CID 86751837
6,19-dioxononadecanoic acid
CID 174486192
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
15-oxopentadeca-9,12-dienoic acid
CID 86257991
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(6Z,11Z)-17-sulfanylheptadeca-6,11-dienoic acid
CID 163386050

Frequently Asked Questions

What is the IUPAC name of (E)-14-oxotetradec-9-enoic acid?
The IUPAC name of (E)-14-oxotetradec-9-enoic acid (CID 118354621) is (E)-14-oxotetradec-9-enoic acid.
What is the SMILES notation for (E)-14-oxotetradec-9-enoic acid?
The canonical SMILES for (E)-14-oxotetradec-9-enoic acid is O=CCCC/C=C/CCCCCCCC(=O)O.
What is the InChIKey of (E)-14-oxotetradec-9-enoic acid?
The InChIKey is VFTJORZEIWWLRI-HWKANZROSA-N. The full InChI is InChI=1S/C14H24O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h3,5,13H,1-2,4,6-12H2,(H,16,17)/b5-3+.
What are the key properties of (E)-14-oxotetradec-9-enoic acid?
(E)-14-oxotetradec-9-enoic acid has a molecular weight of 240.34 g/mol, XLogP of 3.73, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-14-oxotetradec-9-enoic acid is sourced from PubChem (CID 118354621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).