7-undec-2-enoxyhepta-3,4-dienoic acid

C18H30O3 — CID 54353826

IUPAC7-undec-2-enoxyhepta-3,4-dienoic acid
SMILESCCCCCCCCC=CCOCCC=C=CCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-10-13-16-21-17-14-11-9-12-15-18(19)20/h10-13H,2-8,14-17H2,1H3,(H,19,20)
InChIKeyUHROPIJBDPHPCG-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.89
Rot. Bonds14

About 7-undec-2-enoxyhepta-3,4-dienoic acid

7-undec-2-enoxyhepta-3,4-dienoic acid (PubChem CID 54353826) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-undec-2-enoxyhepta-3,4-dienoic acid.

Molecular Properties

Compound Name7-undec-2-enoxyhepta-3,4-dienoic acid
PubChem CID54353826
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name7-undec-2-enoxyhepta-3,4-dienoic acid
SMILESCCCCCCCCC=CCOCCC=C=CCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-10-13-16-21-17-14-11-9-12-15-18(19)20/h10-13H,2-8,14-17H2,1H3,(H,19,20)
InChIKeyUHROPIJBDPHPCG-UHFFFAOYSA-N
XLogP4.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.89
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

6-non-3-enoxyhexa-3,4-dienoic acid
CID 54452548
1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene
CID 54296188
(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene
CID 88698377
(8Z)-heptadeca-4,5,8-trienoic acid
CID 88698518
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
1-(7-chlorohepta-2,3-dienoxy)trideca-3,6-diene
CID 54221453
3-[(E)-tridec-2-enoxy]propanenitrile
CID 101282673
bis((Z)-hexadec-9-enoic acid);manganese
CID 155704279
(6E,9E,12E)-14-propoxytetradeca-6,9,12-trienoic acid
CID 87265285

Frequently Asked Questions

What is the IUPAC name of 7-undec-2-enoxyhepta-3,4-dienoic acid?
The IUPAC name of 7-undec-2-enoxyhepta-3,4-dienoic acid (CID 54353826) is 7-undec-2-enoxyhepta-3,4-dienoic acid.
What is the SMILES notation for 7-undec-2-enoxyhepta-3,4-dienoic acid?
The canonical SMILES for 7-undec-2-enoxyhepta-3,4-dienoic acid is CCCCCCCCC=CCOCCC=C=CCC(=O)O.
What is the InChIKey of 7-undec-2-enoxyhepta-3,4-dienoic acid?
The InChIKey is UHROPIJBDPHPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-10-13-16-21-17-14-11-9-12-15-18(19)20/h10-13H,2-8,14-17H2,1H3,(H,19,20).
What are the key properties of 7-undec-2-enoxyhepta-3,4-dienoic acid?
7-undec-2-enoxyhepta-3,4-dienoic acid has a molecular weight of 294.44 g/mol, XLogP of 4.89, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-undec-2-enoxyhepta-3,4-dienoic acid is sourced from PubChem (CID 54353826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).