6-nona-3,6-dienoyloxyoct-3-enoic acid

C17H26O4 — CID 54247799

IUPAC6-nona-3,6-dienoyloxyoct-3-enoic acid
SMILESCCC=CCC=CCC(=O)OC(CC)CC=CCC(=O)O
InChIInChI=1S/C17H26O4/c1-3-5-6-7-8-9-14-17(20)21-15(4-2)12-10-11-13-16(18)19/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,18,19)
InChIKeyQUNPPQPBDWADFF-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.03
Rot. Bonds11

About 6-nona-3,6-dienoyloxyoct-3-enoic acid

6-nona-3,6-dienoyloxyoct-3-enoic acid (PubChem CID 54247799) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-nona-3,6-dienoyloxyoct-3-enoic acid.

Molecular Properties

Compound Name6-nona-3,6-dienoyloxyoct-3-enoic acid
PubChem CID54247799
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name6-nona-3,6-dienoyloxyoct-3-enoic acid
SMILESCCC=CCC=CCC(=O)OC(CC)CC=CCC(=O)O
InChIInChI=1S/C17H26O4/c1-3-5-6-7-8-9-14-17(20)21-15(4-2)12-10-11-13-16(18)19/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,18,19)
InChIKeyQUNPPQPBDWADFF-UHFFFAOYSA-N
XLogP4.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentan-3-yl (E)-hex-3-enoate
CID 20667360
(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
CID 5312510
2-methylpentan-3-yl (3Z,6Z)-nona-3,6-dienoate
CID 155014233
8-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxyhexadecanoic acid
CID 138233746
methane;[2-[(3Z,6Z)-nona-3,6-dienoyl]oxy-3-[(3Z,6Z)-octa-3,6-dienoyl]oxypropyl] (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 159752025
5-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyheptanoic acid
CID 138310166
methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 121274529
14-[(13Z,16Z,19Z)-docosa-13,16,19-trienoyl]oxyhexadecanoic acid
CID 134774326
[3-heptadecanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] heptatriacontanoate
CID 165268566
[3-hexadecanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] tritriacontanoate
CID 165261007
[3-octadecanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] tritriacontanoate
CID 165231502
[3-dodecanoyloxy-2-[(3Z,6Z,9Z)-dodeca-3,6,9-trienoyl]oxypropyl] heptadecanoate
CID 138164458

Frequently Asked Questions

What is the IUPAC name of 6-nona-3,6-dienoyloxyoct-3-enoic acid?
The IUPAC name of 6-nona-3,6-dienoyloxyoct-3-enoic acid (CID 54247799) is 6-nona-3,6-dienoyloxyoct-3-enoic acid.
What is the SMILES notation for 6-nona-3,6-dienoyloxyoct-3-enoic acid?
The canonical SMILES for 6-nona-3,6-dienoyloxyoct-3-enoic acid is CCC=CCC=CCC(=O)OC(CC)CC=CCC(=O)O.
What is the InChIKey of 6-nona-3,6-dienoyloxyoct-3-enoic acid?
The InChIKey is QUNPPQPBDWADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-3-5-6-7-8-9-14-17(20)21-15(4-2)12-10-11-13-16(18)19/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,18,19).
What are the key properties of 6-nona-3,6-dienoyloxyoct-3-enoic acid?
6-nona-3,6-dienoyloxyoct-3-enoic acid has a molecular weight of 294.39 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nona-3,6-dienoyloxyoct-3-enoic acid is sourced from PubChem (CID 54247799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).