(2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene

C17H28O3 — CID 166655064

IUPAC(2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene
SMILESCCC(=C\C=C(C)C)/C(COC)=C(/C=C(\C)OC)OC
InChIInChI=1S/C17H28O3/c1-8-15(10-9-13(2)3)16(12-18-5)17(20-7)11-14(4)19-6/h9-11H,8,12H2,1-7H3/b14-11+,15-10+,17-16-
InChIKeyUZPSQARCUQZYJC-KHUJSEHCSA-N
MW280.41 g/mol
LogP4.39
Rot. Bonds8

About (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene

(2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene (PubChem CID 166655064) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene.

Molecular Properties

Compound Name(2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene
PubChem CID166655064
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene
SMILESCCC(=C\C=C(C)C)/C(COC)=C(/C=C(\C)OC)OC
InChIInChI=1S/C17H28O3/c1-8-15(10-9-13(2)3)16(12-18-5)17(20-7)11-14(4)19-6/h9-11H,8,12H2,1-7H3/b14-11+,15-10+,17-16-
InChIKeyUZPSQARCUQZYJC-KHUJSEHCSA-N
XLogP4.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene?
The IUPAC name of (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene (CID 166655064) is (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene.
What is the SMILES notation for (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene?
The canonical SMILES for (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene is CCC(=C\C=C(C)C)/C(COC)=C(/C=C(\C)OC)OC.
What is the InChIKey of (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene?
The InChIKey is UZPSQARCUQZYJC-KHUJSEHCSA-N. The full InChI is InChI=1S/C17H28O3/c1-8-15(10-9-13(2)3)16(12-18-5)17(20-7)11-14(4)19-6/h9-11H,8,12H2,1-7H3/b14-11+,15-10+,17-16-.
What are the key properties of (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene?
(2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene has a molecular weight of 280.41 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-6-ethyl-2,4-dimethoxy-5-(methoxymethyl)-9-methyldeca-2,4,6,8-tetraene is sourced from PubChem (CID 166655064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).