(3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene

C16H22O4 — CID 139498398

IUPAC(3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene
SMILESC=C(/C=C\C(=C)C(=COC)/C(=C\C(=C)OC)OC)OC
InChIInChI=1S/C16H22O4/c1-12(8-9-13(2)18-5)15(11-17-4)16(20-7)10-14(3)19-6/h8-11H,1-3H2,4-7H3/b9-8-,15-11+,16-10+
InChIKeyNFYYDRJTVJAYMR-LQEQFJCZSA-N
MW278.35 g/mol
LogP3.48
Rot. Bonds9

About (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene

(3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene (PubChem CID 139498398) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene
PubChem CID139498398
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name(3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene
SMILESC=C(/C=C\C(=C)C(=COC)/C(=C\C(=C)OC)OC)OC
InChIInChI=1S/C16H22O4/c1-12(8-9-13(2)18-5)15(11-17-4)16(20-7)10-14(3)19-6/h8-11H,1-3H2,4-7H3/b9-8-,15-11+,16-10+
InChIKeyNFYYDRJTVJAYMR-LQEQFJCZSA-N
XLogP3.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,9,10-Pentamethoxybenzo[a]heptalene
CID 15241078
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
(4aZ,8aZ,12aZ,16aZ)-1,8,9,16-tetramethoxytetraphenylene
CID 101743118
4-Ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875
(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 126711027
4-[(3E,4Z)-3-(2-fluoroethylidene)-6-methoxyhexa-1,4-dien-2-yl]-1,2,6-trimethoxycyclohepta-1,3,5-triene
CID 138496308
(4Z,6E)-5-fluoro-4-methoxy-6-(methoxymethyl)-2-methylnona-2,4,6-triene
CID 144455716
(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 145380881
(3E,5E)-5-[(E)-2-ethenylhex-2-enoxy]-4-fluoro-2-methylhepta-1,3,5-triene
CID 145509334
(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene
CID 146564216
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
CID 25188011

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene?
The IUPAC name of (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene (CID 139498398) is (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene.
What is the SMILES notation for (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene?
The canonical SMILES for (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene is C=C(/C=C\C(=C)C(=COC)/C(=C\C(=C)OC)OC)OC.
What is the InChIKey of (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene?
The InChIKey is NFYYDRJTVJAYMR-LQEQFJCZSA-N. The full InChI is InChI=1S/C16H22O4/c1-12(8-9-13(2)18-5)15(11-17-4)16(20-7)10-14(3)19-6/h8-11H,1-3H2,4-7H3/b9-8-,15-11+,16-10+.
What are the key properties of (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene?
(3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene has a molecular weight of 278.35 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7Z)-2,4,9-trimethoxy-5-(methoxymethylidene)-6-methylidenedeca-1,3,7,9-tetraene is sourced from PubChem (CID 139498398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).