(3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene

C29H32F6O2 — CID 143642215

IUPAC(3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C(\C(=C)OC(=C)/C=C\C(=C)C(=C)/C=C\C(=C)O/C(C)=C(/C=C(/C)CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H32F6O2/c1-11-19(4)17-27(29(33,34)35)25(10)37-23(8)15-13-21(6)20(5)12-14-22(7)36-24(9)26(16-18(2)3)28(30,31)32/h12-17H,2,5-9,11H2,1,3-4,10H3/b14-12-,15-13-,19-17-,26-16+,27-25-
InChIKeyYAWPPEWUGLTZGL-JDFDRMGNSA-N
MW526.56 g/mol
LogP10.04
Rot. Bonds13

About (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene

(3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene (PubChem CID 143642215) has the molecular formula C29H32F6O2 and a molecular weight of 526.56 g/mol. Its IUPAC name is (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene
PubChem CID143642215
Molecular FormulaC29H32F6O2
Molecular Weight526.56 g/mol
Exact Mass526.23
IUPAC Name(3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C(\C(=C)OC(=C)/C=C\C(=C)C(=C)/C=C\C(=C)O/C(C)=C(/C=C(/C)CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C29H32F6O2/c1-11-19(4)17-27(29(33,34)35)25(10)37-23(8)15-13-21(6)20(5)12-14-22(7)36-24(9)26(16-18(2)3)28(30,31)32/h12-17H,2,5-9,11H2,1,3-4,10H3/b14-12-,15-13-,19-17-,26-16+,27-25-
InChIKeyYAWPPEWUGLTZGL-JDFDRMGNSA-N
XLogP10.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.56
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene with MolForge

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Related Compounds

(3E)-4-fluoro-2,6-dimethyl-5-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 88053607
1-[(3Z,7E)-1,1-difluoro-7,9-dimethoxy-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 89145197
(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene
CID 89146626
1-Ethyl-5-(trifluoromethoxy)cyclohepta-1,2,4,6-tetraene
CID 91518121
4-Fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene
CID 123173749
6-Methyl-3-(5-methylhepta-2,4,6-trien-2-yloxy)-5-(trifluoromethoxy)hepta-1,3,5-triene
CID 123246166
2-Methyl-4-(2,2,3,3-tetrafluoropropoxy)hepta-1,3,5-triene
CID 123350494
5-(2-Fluoropropan-2-yloxy)-2,6-dimethylocta-1,3,5-triene
CID 123433108
2,6-Difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123684369
5-(2-Fluoropropan-2-yloxy)-2,6-dimethylhepta-1,3,5-triene
CID 123770155
2-[Difluoro(4,4,6-trimethylhepta-2,5-dien-2-yloxy)methyl]-7-ethyl-5,7-dimethylcyclohepta-1,3,5-triene
CID 123791838
CID 124086941
CID 124086941

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene?
The IUPAC name of (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene (CID 143642215) is (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene.
What is the SMILES notation for (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene?
The canonical SMILES for (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene is C=C(C)/C=C(\C(=C)OC(=C)/C=C\C(=C)C(=C)/C=C\C(=C)O/C(C)=C(/C=C(/C)CC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene?
The InChIKey is YAWPPEWUGLTZGL-JDFDRMGNSA-N. The full InChI is InChI=1S/C29H32F6O2/c1-11-19(4)17-27(29(33,34)35)25(10)37-23(8)15-13-21(6)20(5)12-14-22(7)36-24(9)26(16-18(2)3)28(30,31)32/h12-17H,2,5-9,11H2,1,3-4,10H3/b14-12-,15-13-,19-17-,26-16+,27-25-.
What are the key properties of (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene?
(3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene has a molecular weight of 526.56 g/mol, XLogP of 10.04, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-5,6-dimethylidene-2-[(2Z,4Z)-5-methyl-3-(trifluoromethyl)hepta-2,4-dien-2-yl]oxy-9-[(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxydeca-1,3,7,9-tetraene is sourced from PubChem (CID 143642215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).