6-non-3-enoxyhexa-3,4-dienoic acid

C15H24O3 — CID 54452548

IUPAC6-non-3-enoxyhexa-3,4-dienoic acid
SMILESCCCCCC=CCCOCC=C=CCC(=O)O
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-10-13-18-14-11-8-9-12-15(16)17/h6-7,9,11H,2-5,10,12-14H2,1H3,(H,16,17)
InChIKeyWVYIOPYSXHLQGM-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.72
Rot. Bonds11

About 6-non-3-enoxyhexa-3,4-dienoic acid

6-non-3-enoxyhexa-3,4-dienoic acid (PubChem CID 54452548) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 6-non-3-enoxyhexa-3,4-dienoic acid.

Molecular Properties

Compound Name6-non-3-enoxyhexa-3,4-dienoic acid
PubChem CID54452548
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name6-non-3-enoxyhexa-3,4-dienoic acid
SMILESCCCCCC=CCCOCC=C=CCC(=O)O
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-10-13-18-14-11-8-9-12-15(16)17/h6-7,9,11H,2-5,10,12-14H2,1H3,(H,16,17)
InChIKeyWVYIOPYSXHLQGM-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.72
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'}

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Related Compounds

7-undec-2-enoxyhepta-3,4-dienoic acid
CID 54353826
(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene
CID 88698377
1-(7-chlorohepta-2,3-dienoxy)trideca-3,6-diene
CID 54221453
(8Z)-heptadeca-4,5,8-trienoic acid
CID 88698518
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(6E,12Z)-octadeca-6,12-dienoic acid
CID 101251526
acetic acid;(E)-tetradec-7-ene
CID 174697247
octadeca-3,5-dienoic acid
CID 54573818
pentadeca-3,5-dienoic acid
CID 91404982

Frequently Asked Questions

What is the IUPAC name of 6-non-3-enoxyhexa-3,4-dienoic acid?
The IUPAC name of 6-non-3-enoxyhexa-3,4-dienoic acid (CID 54452548) is 6-non-3-enoxyhexa-3,4-dienoic acid.
What is the SMILES notation for 6-non-3-enoxyhexa-3,4-dienoic acid?
The canonical SMILES for 6-non-3-enoxyhexa-3,4-dienoic acid is CCCCCC=CCCOCC=C=CCC(=O)O.
What is the InChIKey of 6-non-3-enoxyhexa-3,4-dienoic acid?
The InChIKey is WVYIOPYSXHLQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-5-6-7-10-13-18-14-11-8-9-12-15(16)17/h6-7,9,11H,2-5,10,12-14H2,1H3,(H,16,17).
What are the key properties of 6-non-3-enoxyhexa-3,4-dienoic acid?
6-non-3-enoxyhexa-3,4-dienoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-non-3-enoxyhexa-3,4-dienoic acid is sourced from PubChem (CID 54452548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).