(3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene

C32H35F7O — CID 145464239

IUPAC(3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene
SMILESC=C(/C=C(/F)C(=C)C(=C)/C=C(\F)C(=C)C(=C)/C=C(\F)C(=C)F)OC(F)(F)C(=C)/C(F)=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C32H35F7O/c1-18(2)12-13-19(3)20(4)14-30(36)26(10)32(38,39)40-23(7)17-29(35)25(9)21(5)15-28(34)24(8)22(6)16-31(37)27(11)33/h14-19H,4-13H2,1-3H3/b28-15+,29-17+,30-14+,31-16+
InChIKeyXFMDFEWDLTVDHD-OMASXQTDSA-N
MW568.62 g/mol
LogP11.42
Rot. Bonds17

About (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene

(3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene (PubChem CID 145464239) has the molecular formula C32H35F7O and a molecular weight of 568.62 g/mol. Its IUPAC name is (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene.

Molecular Properties

Compound Name(3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene
PubChem CID145464239
Molecular FormulaC32H35F7O
Molecular Weight568.62 g/mol
Exact Mass568.26
IUPAC Name(3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene
SMILESC=C(/C=C(/F)C(=C)C(=C)/C=C(\F)C(=C)C(=C)/C=C(\F)C(=C)F)OC(F)(F)C(=C)/C(F)=C\C(=C)C(C)CCC(C)C
InChIInChI=1S/C32H35F7O/c1-18(2)12-13-19(3)20(4)14-30(36)26(10)32(38,39)40-23(7)17-29(35)25(9)21(5)15-28(34)24(8)22(6)16-31(37)27(11)33/h14-19H,4-13H2,1-3H3/b28-15+,29-17+,30-14+,31-16+
InChIKeyXFMDFEWDLTVDHD-OMASXQTDSA-N
XLogP11.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.62
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene with MolForge

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Related Compounds

1-[[(3E)-4,5-difluorohexa-1,3,5-trien-2-yl]oxy-difluoromethyl]-4-(5-methylhexan-2-yl)cyclohexane
CID 89228841
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900
[(2E,6E)-2-but-1-en-2-yl-6-fluoro-9,12-dimethyl-4,5,8-trimethylidenetetradeca-2,6-dienyl] acetate
CID 145122796
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143773158
(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909116
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
(3Z,7Z)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 143727055
(3E,7Z,11E,15Z)-17-[difluoro-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]oxymethyl]-4,12-difluoro-2-methyl-5,6,9,10,13,14-hexamethylideneoctadeca-1,3,7,11,15,17-hexaene
CID 145464255
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 145122369

Frequently Asked Questions

What is the IUPAC name of (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene?
The IUPAC name of (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene (CID 145464239) is (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene.
What is the SMILES notation for (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene?
The canonical SMILES for (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene is C=C(/C=C(/F)C(=C)C(=C)/C=C(\F)C(=C)C(=C)/C=C(\F)C(=C)F)OC(F)(F)C(=C)/C(F)=C\C(=C)C(C)CCC(C)C.
What is the InChIKey of (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene?
The InChIKey is XFMDFEWDLTVDHD-OMASXQTDSA-N. The full InChI is InChI=1S/C32H35F7O/c1-18(2)12-13-19(3)20(4)14-30(36)26(10)32(38,39)40-23(7)17-29(35)25(9)21(5)15-28(34)24(8)22(6)16-31(37)27(11)33/h14-19H,4-13H2,1-3H3/b28-15+,29-17+,30-14+,31-16+.
What are the key properties of (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene?
(3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene has a molecular weight of 568.62 g/mol, XLogP of 11.42, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,11E)-2,3,7,11-tetrafluoro-5,6,9,10-tetramethylidene-13-[(E)-1,1,3-trifluoro-6,9-dimethyl-2,5-dimethylidenedec-3-enoxy]tetradeca-1,3,7,11,13-pentaene is sourced from PubChem (CID 145464239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).