(E)-pentadec-4-enedioic acid

C15H26O4 — CID 156873655

IUPAC(E)-pentadec-4-enedioic acid
SMILESO=C(O)CC/C=C/CCCCCCCCCC(=O)O
InChIInChI=1S/C15H26O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h6,8H,1-5,7,9-13H2,(H,16,17)(H,18,19)/b8-6+
InChIKeyZFRYVDPJMPDFCK-SOFGYWHQSA-N
MW270.37 g/mol
LogP4.00
Rot. Bonds13

About (E)-pentadec-4-enedioic acid

(E)-pentadec-4-enedioic acid (PubChem CID 156873655) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (E)-pentadec-4-enedioic acid.

Molecular Properties

Compound Name(E)-pentadec-4-enedioic acid
PubChem CID156873655
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(E)-pentadec-4-enedioic acid
SMILESO=C(O)CC/C=C/CCCCCCCCCC(=O)O
InChIInChI=1S/C15H26O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h6,8H,1-5,7,9-13H2,(H,16,17)(H,18,19)/b8-6+
InChIKeyZFRYVDPJMPDFCK-SOFGYWHQSA-N
XLogP4.00
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 ≤ 54.00
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

(E)-octadec-4-enedioic acid
CID 166071490
(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
(Z)-dodec-5-enedioic acid
CID 86751837
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoic acid
CID 87670467
nonadec-4-enoic acid
CID 56637756

Frequently Asked Questions

What is the IUPAC name of (E)-pentadec-4-enedioic acid?
The IUPAC name of (E)-pentadec-4-enedioic acid (CID 156873655) is (E)-pentadec-4-enedioic acid.
What is the SMILES notation for (E)-pentadec-4-enedioic acid?
The canonical SMILES for (E)-pentadec-4-enedioic acid is O=C(O)CC/C=C/CCCCCCCCCC(=O)O.
What is the InChIKey of (E)-pentadec-4-enedioic acid?
The InChIKey is ZFRYVDPJMPDFCK-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H26O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h6,8H,1-5,7,9-13H2,(H,16,17)(H,18,19)/b8-6+.
What are the key properties of (E)-pentadec-4-enedioic acid?
(E)-pentadec-4-enedioic acid has a molecular weight of 270.37 g/mol, XLogP of 4.00, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pentadec-4-enedioic acid is sourced from PubChem (CID 156873655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).