(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene

C28H33F3O — CID 143772549

IUPAC(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C/C(=C)C(=C)/C=C(\F)C(=C)/C(C)=C/CC(C)C
InChIInChI=1S/C28H33F3O/c1-11-16-32-25(10)28(31)27(30)24(9)21(6)15-14-19(4)22(7)17-26(29)23(8)20(5)13-12-18(2)3/h11,13-15,17-18H,1,4,6-10,12,16H2,2-3,5H3/b15-14-,20-13+,26-17+,28-27-
InChIKeyWEXAAMVKRWGTOT-NSAPASENSA-N
MW442.57 g/mol
LogP9.04
Rot. Bonds14

About (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene

(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene (PubChem CID 143772549) has the molecular formula C28H33F3O and a molecular weight of 442.57 g/mol. Its IUPAC name is (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene.

Molecular Properties

Compound Name(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene
PubChem CID143772549
Molecular FormulaC28H33F3O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C/C(=C)C(=C)/C=C(\F)C(=C)/C(C)=C/CC(C)C
InChIInChI=1S/C28H33F3O/c1-11-16-32-25(10)28(31)27(30)24(9)21(6)15-14-19(4)22(7)17-26(29)23(8)20(5)13-12-18(2)3/h11,13-15,17-18H,1,4,6-10,12,16H2,2-3,5H3/b15-14-,20-13+,26-17+,28-27-
InChIKeyWEXAAMVKRWGTOT-NSAPASENSA-N
XLogP9.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Fluoroethoxy)-5-methylcyclohexa-1,3-diene
CID 88574758
(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene
CID 88998018
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
(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
(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
CID 89312914
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
2-Propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 90696568
3-(2,2-Difluorobutoxy)-7-methyl-6-methylideneocta-2,4-diene
CID 91231528
6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
6-Fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene
CID 123674969
2-(1-Fluoroethoxy)-5-methylhexa-1,3,5-triene
CID 123750418
4-Ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene?
The IUPAC name of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene (CID 143772549) is (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene.
What is the SMILES notation for (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene?
The canonical SMILES for (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene is C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C/C(=C)C(=C)/C=C(\F)C(=C)/C(C)=C/CC(C)C.
What is the InChIKey of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene?
The InChIKey is WEXAAMVKRWGTOT-NSAPASENSA-N. The full InChI is InChI=1S/C28H33F3O/c1-11-16-32-25(10)28(31)27(30)24(9)21(6)15-14-19(4)22(7)17-26(29)23(8)20(5)13-12-18(2)3/h11,13-15,17-18H,1,4,6-10,12,16H2,2-3,5H3/b15-14-,20-13+,26-17+,28-27-.
What are the key properties of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene?
(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene has a molecular weight of 442.57 g/mol, XLogP of 9.04, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).