(7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene

C33H36F8O2 — CID 145464099

IUPAC(7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene
SMILESC=C(C)/C=C(/F)C(=C)C(F)(F)OC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C=C(\F)C(=C)C(=C)C=C(F)C(=C)OC(F)(F)F
InChIInChI=1S/C33H36F8O2/c1-19(2)16-30(35)27(10)32(37,38)42-25(8)15-14-21(4)20(3)12-13-22(5)23(6)17-29(34)26(9)24(7)18-31(36)28(11)43-33(39,40)41/h12-13,16-18,21,25H,1,3,5-7,9-11,14-15H2,2,4,8H3/b13-12-,29-17+,30-16+,31-18?
InChIKeyRNSQXSCQNVUWMQ-LEKWVKNHSA-N
MW616.63 g/mol
LogP11.48
Rot. Bonds18

About (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene

(7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene (PubChem CID 145464099) has the molecular formula C33H36F8O2 and a molecular weight of 616.63 g/mol. Its IUPAC name is (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene
PubChem CID145464099
Molecular FormulaC33H36F8O2
Molecular Weight616.63 g/mol
Exact Mass616.26
IUPAC Name(7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene
SMILESC=C(C)/C=C(/F)C(=C)C(F)(F)OC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C=C(\F)C(=C)C(=C)C=C(F)C(=C)OC(F)(F)F
InChIInChI=1S/C33H36F8O2/c1-19(2)16-30(35)27(10)32(37,38)42-25(8)15-14-21(4)20(3)12-13-22(5)23(6)17-29(34)26(9)24(7)18-31(36)28(11)43-33(39,40)41/h12-13,16-18,21,25H,1,3,5-7,9-11,14-15H2,2,4,8H3/b13-12-,29-17+,30-16+,31-18?
InChIKeyRNSQXSCQNVUWMQ-LEKWVKNHSA-N
XLogP11.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.63
LogP ≤ 511.48
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 (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene with MolForge

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Related Compounds

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5-(1,1,2,2,3,3,4,4,5-Nonafluoropentoxy)-2-(4-octylcyclohexyl)cyclohexa-1,3-diene
CID 56628726
1-[1-(2-Ethylpentoxy)ethyl]-5-fluoro-4-(fluoromethyl)cyclohexa-1,3-diene
CID 70950800
5-(1,1,2,2,3,3,4-Heptafluorobutoxy)-2-(4-octylcyclohexen-1-yl)cyclohexa-1,3-diene
CID 88473692
6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 89259496
(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane
CID 143772372
(3Z,7Z,11E)-2-butoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772417
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143772429
(7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol
CID 143772621
(3Z,7Z,11E)-2-butoxy-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772668
(3Z,7Z,11Z)-2-but-3-enoxy-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772692
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-2,14-dimethyl-5,6,9,10,13-pentamethylidene-17-propoxyoctadeca-1,3,7,11-tetraene
CID 143772704

Frequently Asked Questions

What is the IUPAC name of (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene?
The IUPAC name of (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene (CID 145464099) is (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene.
What is the SMILES notation for (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene?
The canonical SMILES for (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene is C=C(C)/C=C(/F)C(=C)C(F)(F)OC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C=C(\F)C(=C)C(=C)C=C(F)C(=C)OC(F)(F)F.
What is the InChIKey of (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene?
The InChIKey is RNSQXSCQNVUWMQ-LEKWVKNHSA-N. The full InChI is InChI=1S/C33H36F8O2/c1-19(2)16-30(35)27(10)32(37,38)42-25(8)15-14-21(4)20(3)12-13-22(5)23(6)17-29(34)26(9)24(7)18-31(36)28(11)43-33(39,40)41/h12-13,16-18,21,25H,1,3,5-7,9-11,14-15H2,2,4,8H3/b13-12-,29-17+,30-16+,31-18?.
What are the key properties of (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene?
(7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene has a molecular weight of 616.63 g/mol, XLogP of 11.48, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11Z)-3,7-difluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-(trifluoromethoxy)-17-[(3E)-1,1,3-trifluoro-5-methyl-2-methylidenehexa-3,5-dienoxy]octadeca-1,3,7,11-tetraene is sourced from PubChem (CID 145464099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).