2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid

C19H30O3 — CID 11702257

IUPAC2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid
SMILESC/C=C\C/C=C\C/C=C\C/C=C\CCCCCOCC(=O)O
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19(20)21/h2-3,5-6,8-9,11-12H,4,7,10,13-18H2,1H3,(H,20,21)/b3-2-,6-5-,9-8-,12-11-
InChIKeyAHDGPYWABRMJQW-BKGCKSHMSA-N
MW306.45 g/mol
LogP5.06
Rot. Bonds14

About 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid

2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid (PubChem CID 11702257) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid.

Molecular Properties

Compound Name2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid
PubChem CID11702257
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid
SMILESC/C=C\C/C=C\C/C=C\C/C=C\CCCCCOCC(=O)O
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19(20)21/h2-3,5-6,8-9,11-12H,4,7,10,13-18H2,1H3,(H,20,21)/b3-2-,6-5-,9-8-,12-11-
InChIKeyAHDGPYWABRMJQW-BKGCKSHMSA-N
XLogP5.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid with MolForge

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Related Compounds

2-dodec-8-enoxyacetic acid
CID 175547698
octacosa-20,23,26-trienoic acid
CID 169277364
nonacosa-21,24,27-trienoic acid
CID 169276996
henicosa-13,16,19-trienoic acid
CID 169277363
2-[(6E,9E,12E)-11-nitrooctadeca-6,9,12-trienoxy]acetic acid
CID 52913128
acetic acid;(9E)-tetradeca-9,12-dien-1-ol
CID 122715473
2-(13-hydroxyheptadec-11-enoxy)acetic acid
CID 86215708
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992
(4E,7E,10E,13E,16E,19E)-henicosa-4,7,10,13,16,19-hexaenoic acid
CID 44602959
(6E,9E,12E)-14-propoxytetradeca-6,9,12-trienoic acid
CID 87265285
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900

Frequently Asked Questions

What is the IUPAC name of 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid?
The IUPAC name of 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid (CID 11702257) is 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid.
What is the SMILES notation for 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid?
The canonical SMILES for 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid is C/C=C\C/C=C\C/C=C\C/C=C\CCCCCOCC(=O)O.
What is the InChIKey of 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid?
The InChIKey is AHDGPYWABRMJQW-BKGCKSHMSA-N. The full InChI is InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19(20)21/h2-3,5-6,8-9,11-12H,4,7,10,13-18H2,1H3,(H,20,21)/b3-2-,6-5-,9-8-,12-11-.
What are the key properties of 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid?
2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid has a molecular weight of 306.45 g/mol, XLogP of 5.06, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6Z,9Z,12Z,15Z)-heptadeca-6,9,12,15-tetraenoxy]acetic acid is sourced from PubChem (CID 11702257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).