tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane

C35H52O2S2Si — CID 11215528

IUPACtert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
SMILESCC(C)C/C=C/C1(C[C@@H]2CC[C@H](C)[C@@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)SCCCS1
InChIInChI=1S/C35H52O2S2Si/c1-28(2)15-13-23-35(38-25-14-26-39-35)27-30-21-20-29(3)33(37-30)22-24-36-40(34(4,5)6,31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-13,16-19,23,28-30,33H,14-15,20-22,24-27H2,1-6H3/b23-13+/t29-,30-,33+/m0/s1
InChIKeySTGNUUDILCEMAK-OKNMBDDDSA-N
MW597.02 g/mol
LogP8.70
Rot. Bonds11

About tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane (PubChem CID 11215528) has the molecular formula C35H52O2S2Si and a molecular weight of 597.02 g/mol. Its IUPAC name is tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
PubChem CID11215528
Molecular FormulaC35H52O2S2Si
Molecular Weight597.02 g/mol
Exact Mass596.32
IUPAC Nametert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
SMILESCC(C)C/C=C/C1(C[C@@H]2CC[C@H](C)[C@@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)SCCCS1
InChIInChI=1S/C35H52O2S2Si/c1-28(2)15-13-23-35(38-25-14-26-39-35)27-30-21-20-29(3)33(37-30)22-24-36-40(34(4,5)6,31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-13,16-19,23,28-30,33H,14-15,20-22,24-27H2,1-6H3/b23-13+/t29-,30-,33+/m0/s1
InChIKeySTGNUUDILCEMAK-OKNMBDDDSA-N
XLogP8.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.02
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane 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-[2-[(4R,6S)-6-[2-(1,3-dithian-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11974078
tert-butyl-[(1R,2R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[2-(1,3-dithian-2-yl)propan-2-yl]-2,4-dimethylnon-8-enoxy]-diphenylsilane
CID 134875180
tert-butyl-[2-[(4R,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 134878049
tert-butyl-[2-[(4S,6S)-6-[(2S)-3-(1,3-dithian-2-yl)-2-(methoxymethoxy)-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 134881831
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[2-[(2S)-5-hydroxypentan-2-yl]-1,3-dithiolan-2-yl]pentan-1-ol
CID 134930050
tert-butyl-[2-[(2S,3S,6R)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 134936241
Tert-butyl-[6-(2-heptyl-1,3-dithian-2-yl)hexoxy]-diphenylsilane
CID 134936485
tert-butyl-[(2S)-2-[(2R,5S,6R)-5-methyl-6-phenylsulfanyloxan-2-yl]butoxy]-diphenylsilane
CID 134969240
tert-butyl-[(2S)-2-[(2R,5S,6S)-5-methyl-6-[(E)-5-methylhex-3-en-2-yl]oxan-2-yl]butoxy]-diphenylsilane
CID 134969241
(3S,4R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(1,3-dithian-2-yl)heptane-1,4-diol
CID 139116864
2-[5-[5-(Oxan-2-yl)-1-phenylpentyl]sulfanyl-5-phenylpentyl]oxane
CID 53707204
2-[6-[7-(Oxan-2-yl)-1-phenylheptan-2-yl]sulfanyl-7-phenylheptyl]oxane
CID 53932399

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane (CID 11215528) is tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane is CC(C)C/C=C/C1(C[C@@H]2CC[C@H](C)[C@@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)SCCCS1.
What is the InChIKey of tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is STGNUUDILCEMAK-OKNMBDDDSA-N. The full InChI is InChI=1S/C35H52O2S2Si/c1-28(2)15-13-23-35(38-25-14-26-39-35)27-30-21-20-29(3)33(37-30)22-24-36-40(34(4,5)6,31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-13,16-19,23,28-30,33H,14-15,20-22,24-27H2,1-6H3/b23-13+/t29-,30-,33+/m0/s1.
What are the key properties of tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 597.02 g/mol, XLogP of 8.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R,3S,6S)-3-methyl-6-[[2-[(E)-4-methylpent-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11215528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).