(3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol

C34H58F6O3Si2 — CID 86756378

IUPAC(3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
SMILESC=C1/C(=C\C=C\CCCC(C)(C)C/C=C/C(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H58F6O3Si2/c1-25-26(23-27(42-44(10,11)29(2,3)4)24-28(25)43-45(12,13)30(5,6)7)19-16-14-15-17-20-31(8,9)21-18-22-32(41,33(35,36)37)34(38,39)40/h14,16,18-19,22,27-28,41H,1,15,17,20-21,23-24H2,2-13H3/b16-14+,22-18+,26-19-/t27-,28+/m1/s1
InChIKeyDLKDMJUNADBSNS-FLDPRREASA-N
MW685.00 g/mol
LogP11.60
Rot. Bonds12

About (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol

(3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol (PubChem CID 86756378) has the molecular formula C34H58F6O3Si2 and a molecular weight of 685.00 g/mol. Its IUPAC name is (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol.

Molecular Properties

Compound Name(3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
PubChem CID86756378
Molecular FormulaC34H58F6O3Si2
Molecular Weight685.00 g/mol
Exact Mass684.38
IUPAC Name(3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
SMILESC=C1/C(=C\C=C\CCCC(C)(C)C/C=C/C(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H58F6O3Si2/c1-25-26(23-27(42-44(10,11)29(2,3)4)24-28(25)43-45(12,13)30(5,6)7)19-16-14-15-17-20-31(8,9)21-18-22-32(41,33(35,36)37)34(38,39)40/h14,16,18-19,22,27-28,41H,1,15,17,20-21,23-24H2,2-13H3/b16-14+,22-18+,26-19-/t27-,28+/m1/s1
InChIKeyDLKDMJUNADBSNS-FLDPRREASA-N
XLogP11.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.00
LogP ≤ 511.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
The IUPAC name of (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol (CID 86756378) is (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol.
What is the SMILES notation for (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
The canonical SMILES for (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol is C=C1/C(=C\C=C\CCCC(C)(C)C/C=C/C(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
The InChIKey is DLKDMJUNADBSNS-FLDPRREASA-N. The full InChI is InChI=1S/C34H58F6O3Si2/c1-25-26(23-27(42-44(10,11)29(2,3)4)24-28(25)43-45(12,13)30(5,6)7)19-16-14-15-17-20-31(8,9)21-18-22-32(41,33(35,36)37)34(38,39)40/h14,16,18-19,22,27-28,41H,1,15,17,20-21,23-24H2,2-13H3/b16-14+,22-18+,26-19-/t27-,28+/m1/s1.
What are the key properties of (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
(3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol has a molecular weight of 685.00 g/mol, XLogP of 11.60, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,10E,12Z)-12-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol is sourced from PubChem (CID 86756378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).