(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid

C15H26O4 — CID 11011065

IUPAC(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid
SMILESCOC(/C=C/C=C/CCCCCCCC(=O)O)OC
InChIInChI=1S/C15H26O4/c1-18-15(19-2)13-11-9-7-5-3-4-6-8-10-12-14(16)17/h7,9,11,13,15H,3-6,8,10,12H2,1-2H3,(H,16,17)/b9-7+,13-11+
InChIKeyJZTAGCIFXMLAKF-PTSVWTKZSA-N
MW270.37 g/mol
LogP3.53
Rot. Bonds12

About (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid

(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid (PubChem CID 11011065) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid.

Molecular Properties

Compound Name(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid
PubChem CID11011065
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid
SMILESCOC(/C=C/C=C/CCCCCCCC(=O)O)OC
InChIInChI=1S/C15H26O4/c1-18-15(19-2)13-11-9-7-5-3-4-6-8-10-12-14(16)17/h7,9,11,13,15H,3-6,8,10,12H2,1-2H3,(H,16,17)/b9-7+,13-11+
InChIKeyJZTAGCIFXMLAKF-PTSVWTKZSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
CID 12988295
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
trideca-9,11-dienoic acid
CID 56613919
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
dodeca-7,9-dienoic acid
CID 78383934
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
(12Z,14Z)-hexadeca-12,14-dienoic acid
CID 118342328
heptacosa-12,14-dienoic acid
CID 172824582
(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
CID 138240302
(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
CID 35025837

Frequently Asked Questions

What is the IUPAC name of (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid?
The IUPAC name of (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid (CID 11011065) is (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid.
What is the SMILES notation for (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid?
The canonical SMILES for (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid is COC(/C=C/C=C/CCCCCCCC(=O)O)OC.
What is the InChIKey of (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid?
The InChIKey is JZTAGCIFXMLAKF-PTSVWTKZSA-N. The full InChI is InChI=1S/C15H26O4/c1-18-15(19-2)13-11-9-7-5-3-4-6-8-10-12-14(16)17/h7,9,11,13,15H,3-6,8,10,12H2,1-2H3,(H,16,17)/b9-7+,13-11+.
What are the key properties of (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid?
(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.53, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid is sourced from PubChem (CID 11011065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).