tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane

C28H40O2SSi — CID 11059721

IUPACtert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)C=C(CSc2ccccc2)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H40O2SSi/c1-27(2,3)32(5,6)30-22-28(4)19-24(21-31-25-15-11-8-12-16-25)17-18-26(28)29-20-23-13-9-7-10-14-23/h7-16,19,26H,17-18,20-22H2,1-6H3/t26-,28+/m0/s1
InChIKeyVMGKCOPMLOZEES-XTEPFMGCSA-N
MW468.78 g/mol
LogP8.11
Rot. Bonds9

About tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane

tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane (PubChem CID 11059721) has the molecular formula C28H40O2SSi and a molecular weight of 468.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane
PubChem CID11059721
Molecular FormulaC28H40O2SSi
Molecular Weight468.78 g/mol
Exact Mass468.25
IUPAC Nametert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)C=C(CSc2ccccc2)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H40O2SSi/c1-27(2,3)32(5,6)30-22-28(4)19-24(21-31-25-15-11-8-12-16-25)17-18-26(28)29-20-23-13-9-7-10-14-23/h7-16,19,26H,17-18,20-22H2,1-6H3/t26-,28+/m0/s1
InChIKeyVMGKCOPMLOZEES-XTEPFMGCSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.78
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane 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

tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
CID 10767090
1,2-Bis(phenylmethoxy)-3-phenylthiopropane
CID 4573537
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
CID 10767652
[(E)-3-methyl-4-phenylmethoxybut-2-enyl]sulfanylbenzene
CID 10803007
[(2R,3S,4S)-6-(benzenesulfonyl)-3-methyl-2-(4-phenylmethoxybutyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10951578
(2-Methoxy-2-phenylethyl)sulfanylbenzene
CID 14979141
p-Tolyl 2-O-benzyl-3,5-O-(di-tert-butylsilanediyl)-1-thio-alpha-D-arabinofuranoside
CID 16110791
[(1S,6S,8aS)-6-[2-(benzenesulfinyl)ethoxy]-8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 16723992
(2R,4RS,6E,10R,13RS,14R)-13-Benzyloxy-1,16-bis-(tert-butyldimethylsilyloxy)-2,6,10,14-tetramethyl-6-hexadecen-4-yl phenyl sulfone
CID 23727958
(1S)-2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-1,3-dithian-2-yl]-1-phenylethanol
CID 25135555
2-Methyl-3-phenylmethoxy-6-phenylsulfanyloxane
CID 75287979

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane (CID 11059721) is tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@]1(C)C=C(CSc2ccccc2)CC[C@@H]1OCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane?
The InChIKey is VMGKCOPMLOZEES-XTEPFMGCSA-N. The full InChI is InChI=1S/C28H40O2SSi/c1-27(2,3)32(5,6)30-22-28(4)19-24(21-31-25-15-11-8-12-16-25)17-18-26(28)29-20-23-13-9-7-10-14-23/h7-16,19,26H,17-18,20-22H2,1-6H3/t26-,28+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane has a molecular weight of 468.78 g/mol, XLogP of 8.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,6S)-1-methyl-6-phenylmethoxy-3-(phenylsulfanylmethyl)cyclohex-2-en-1-yl]methoxy]silane is sourced from PubChem (CID 11059721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).