tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane

C18H30O2SSi — CID 135022716

IUPACtert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane
SMILESCC1O[C@@H](Sc2ccccc2)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2SSi/c1-14-16(20-22(5,6)18(2,3)4)12-13-17(19-14)21-15-10-8-7-9-11-15/h7-11,14,16-17H,12-13H2,1-6H3/t14?,16-,17-/m0/s1
InChIKeyAJEXRDNFLXDQEL-HGVHAKBWSA-N
MW338.59 g/mol
LogP5.69
Rot. Bonds4

About tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane (PubChem CID 135022716) has the molecular formula C18H30O2SSi and a molecular weight of 338.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane
PubChem CID135022716
Molecular FormulaC18H30O2SSi
Molecular Weight338.59 g/mol
Exact Mass338.17
IUPAC Nametert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane
SMILESCC1O[C@@H](Sc2ccccc2)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2SSi/c1-14-16(20-22(5,6)18(2,3)4)12-13-17(19-14)21-15-10-8-7-9-11-15/h7-11,14,16-17H,12-13H2,1-6H3/t14?,16-,17-/m0/s1
InChIKeyAJEXRDNFLXDQEL-HGVHAKBWSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.59
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane 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

PhS(-2d)[TBDMS(-3)][TBDPS(-6)]Glc1F4Me
CID 134936699
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
CID 140694044
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
CID 10990080
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434
[(4S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 11338853
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
(2R,3S,4S,5S,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 11773595
(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane
CID 11847238
3-(t-Butyl-dimethylsiloxy)butyl phenyl sulfide
CID 14807388

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane (CID 135022716) is tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane is CC1O[C@@H](Sc2ccccc2)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane?
The InChIKey is AJEXRDNFLXDQEL-HGVHAKBWSA-N. The full InChI is InChI=1S/C18H30O2SSi/c1-14-16(20-22(5,6)18(2,3)4)12-13-17(19-14)21-15-10-8-7-9-11-15/h7-11,14,16-17H,12-13H2,1-6H3/t14?,16-,17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane has a molecular weight of 338.59 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane is sourced from PubChem (CID 135022716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).