tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane

C31H45FO2Si2 — CID 11519300

IUPACtert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane
SMILESC=C1/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C31H45FO2Si2/c1-24-25(22-26(23-29(24)32)34-35(8,9)30(2,3)4)20-21-33-36(31(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-20,26,29H,1,21-23H2,2-9H3/b25-20+/t26-,29+/m1/s1
InChIKeyQRKTWUWAJBHISE-RYVVGHGNSA-N
MW524.87 g/mol
LogP7.57
Rot. Bonds7

About tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane

tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane (PubChem CID 11519300) has the molecular formula C31H45FO2Si2 and a molecular weight of 524.87 g/mol. Its IUPAC name is tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane
PubChem CID11519300
Molecular FormulaC31H45FO2Si2
Molecular Weight524.87 g/mol
Exact Mass524.29
IUPAC Nametert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane
SMILESC=C1/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C31H45FO2Si2/c1-24-25(22-26(23-29(24)32)34-35(8,9)30(2,3)4)20-21-33-36(31(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-20,26,29H,1,21-23H2,2-9H3/b25-20+/t26-,29+/m1/s1
InChIKeyQRKTWUWAJBHISE-RYVVGHGNSA-N
XLogP7.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.87
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11243654
tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane
CID 139619868
2-[(3S,5S)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 56989707
tert-butyl-[(1R,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11124745
(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol
CID 162404924
(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopentane-1-carbaldehyde
CID 24854156
tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(diphenyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-diphenylsilane
CID 86754892
(2E)-2-[(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 101099401
(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 18654178
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[[5-[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methoxy]-diphenylsilane
CID 58641712
2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol
CID 54396942

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane (CID 11519300) is tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane is C=C1/C(=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F.
What is the InChIKey of tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane?
The InChIKey is QRKTWUWAJBHISE-RYVVGHGNSA-N. The full InChI is InChI=1S/C31H45FO2Si2/c1-24-25(22-26(23-29(24)32)34-35(8,9)30(2,3)4)20-21-33-36(31(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-20,26,29H,1,21-23H2,2-9H3/b25-20+/t26-,29+/m1/s1.
What are the key properties of tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane?
tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane has a molecular weight of 524.87 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane is sourced from PubChem (CID 11519300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).