(4Z)-hexadeca-4,7,10-trienedioic acid

C16H24O4 — CID 86752598

IUPAC(4Z)-hexadeca-4,7,10-trienedioic acid
SMILESO=C(O)CC/C=C\CC=CCC=CCCCCC(=O)O
InChIInChI=1S/C16H24O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1,3-4,6-7,9H,2,5,8,10-14H2,(H,17,18)(H,19,20)/b3-1?,6-4?,9-7-
InChIKeyCDLGMJJZHOJRNU-IOUFHBQJSA-N
MW280.36 g/mol
LogP3.94
Rot. Bonds12

About (4Z)-hexadeca-4,7,10-trienedioic acid

(4Z)-hexadeca-4,7,10-trienedioic acid (PubChem CID 86752598) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (4Z)-hexadeca-4,7,10-trienedioic acid.

Molecular Properties

Compound Name(4Z)-hexadeca-4,7,10-trienedioic acid
PubChem CID86752598
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(4Z)-hexadeca-4,7,10-trienedioic acid
SMILESO=C(O)CC/C=C\CC=CCC=CCCCCC(=O)O
InChIInChI=1S/C16H24O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1,3-4,6-7,9H,2,5,8,10-14H2,(H,17,18)(H,19,20)/b3-1?,6-4?,9-7-
InChIKeyCDLGMJJZHOJRNU-IOUFHBQJSA-N
XLogP3.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.94
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

tetradeca-5,8-dienedioic acid
CID 54091580
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(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
(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid;(9E,12E,15E)-octadeca-9,12,15-trienoic acid
CID 87552029
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
tetradec-6-enedioic acid
CID 151545129
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
(4E,7Z,10Z,13Z,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 122651983

Frequently Asked Questions

What is the IUPAC name of (4Z)-hexadeca-4,7,10-trienedioic acid?
The IUPAC name of (4Z)-hexadeca-4,7,10-trienedioic acid (CID 86752598) is (4Z)-hexadeca-4,7,10-trienedioic acid.
What is the SMILES notation for (4Z)-hexadeca-4,7,10-trienedioic acid?
The canonical SMILES for (4Z)-hexadeca-4,7,10-trienedioic acid is O=C(O)CC/C=C\CC=CCC=CCCCCC(=O)O.
What is the InChIKey of (4Z)-hexadeca-4,7,10-trienedioic acid?
The InChIKey is CDLGMJJZHOJRNU-IOUFHBQJSA-N. The full InChI is InChI=1S/C16H24O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1,3-4,6-7,9H,2,5,8,10-14H2,(H,17,18)(H,19,20)/b3-1?,6-4?,9-7-.
What are the key properties of (4Z)-hexadeca-4,7,10-trienedioic acid?
(4Z)-hexadeca-4,7,10-trienedioic acid has a molecular weight of 280.36 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-hexadeca-4,7,10-trienedioic acid is sourced from PubChem (CID 86752598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).