2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid

C17H26O3 — CID 44559943

IUPAC2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\CC/C=C/COCC(=O)O
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-,14-13+
InChIKeyBJYYIZGGYGZMCV-TWMAVKMASA-N
MW278.39 g/mol
LogP4.28
Rot. Bonds12

About 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid

2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid (PubChem CID 44559943) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid.

Molecular Properties

Compound Name2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid
PubChem CID44559943
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid
SMILESCC/C=C\C/C=C\C/C=C\CC/C=C/COCC(=O)O
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-,14-13+
InChIKeyBJYYIZGGYGZMCV-TWMAVKMASA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.28
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-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-hex-2-enyl lactate
CID 6366079
3-Oxa-6,9,12,15-octadecatetraenoic acid
CID 44559941
2-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenoxy]acetic acid
CID 44559944
3-Oxaheneicosa-5,9,12,15,18-pentaenoic acid
CID 44584287
trans-2-Hexenyl lactate
CID 3020789
Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
CID 44149409
2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]acetic acid
CID 11501629
prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate
CID 87470273
propan-2-yl 2-[(E)-pent-3-en-2-yl]oxyacetate
CID 13673779
propan-2-yl 2-[(E,2S)-pent-3-en-2-yl]oxyacetate
CID 13673780
[(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate
CID 15261944
2-Octadeca-2,6,9,12,15-pentaenoxyacetic acid
CID 75051955

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid?
The IUPAC name of 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid (CID 44559943) is 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid.
What is the SMILES notation for 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid?
The canonical SMILES for 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid is CC/C=C\C/C=C\C/C=C\CC/C=C/COCC(=O)O.
What is the InChIKey of 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid?
The InChIKey is BJYYIZGGYGZMCV-TWMAVKMASA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-,14-13+.
What are the key properties of 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid?
2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid has a molecular weight of 278.39 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid is sourced from PubChem (CID 44559943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).