tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane

C30H40O3SSi — CID 10255720

IUPACtert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCSc1ccccc1
InChIInChI=1S/C30H40O3SSi/c1-25(21-22-34-26-15-9-6-10-16-26)29(32-24-31-5)23-33-35(30(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,25,29H,21-24H2,1-5H3/t25-,29+/m0/s1
InChIKeyMTJWREUREZQOEK-ABYGYWHVSA-N
MW508.80 g/mol
LogP6.37
Rot. Bonds13

About tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane

tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane (PubChem CID 10255720) has the molecular formula C30H40O3SSi and a molecular weight of 508.80 g/mol. Its IUPAC name is tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
PubChem CID10255720
Molecular FormulaC30H40O3SSi
Molecular Weight508.80 g/mol
Exact Mass508.25
IUPAC Nametert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCSc1ccccc1
InChIInChI=1S/C30H40O3SSi/c1-25(21-22-34-26-15-9-6-10-16-26)29(32-24-31-5)23-33-35(30(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,25,29H,21-24H2,1-5H3/t25-,29+/m0/s1
InChIKeyMTJWREUREZQOEK-ABYGYWHVSA-N
XLogP6.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.80
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2R,3S)-4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 134878188
tert-butyl-[(2R,3S)-3-(2-methoxyethoxymethoxy)-2-methyl-4-(2-tributylstannyl-1,3-dithian-2-yl)butoxy]-diphenylsilane
CID 134878277
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
CID 134878980
[(3aR,6R,7aR)-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
CID 135041956
tert-butyl-[(2R)-2-[(4S,5S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-2-(3-fluorohept-1-en-2-yloxy)ethoxy]-diphenylsilane
CID 102075530
Tert-butyl-[4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 21678644
tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 139640160
tert-butyl-[(2S)-2-(methoxymethoxy)-3-tritylsulfanylpropoxy]-dimethylsilane
CID 164541951
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane
CID 10030212
tert-butyl-[[(2R,3S,6S)-6-ethoxy-2-[(E)-4-phenylsulfanylbut-2-enyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-diphenylsilane
CID 10460055
tert-butyl-[(4R,5S,6S)-5-(methoxymethoxy)-4,6-dimethyl-8-phenylsulfanyloctoxy]-diphenylsilane
CID 10460547
tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane
CID 10554039

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane (CID 10255720) is tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane is COCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCSc1ccccc1.
What is the InChIKey of tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane?
The InChIKey is MTJWREUREZQOEK-ABYGYWHVSA-N. The full InChI is InChI=1S/C30H40O3SSi/c1-25(21-22-34-26-15-9-6-10-16-26)29(32-24-31-5)23-33-35(30(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,25,29H,21-24H2,1-5H3/t25-,29+/m0/s1.
What are the key properties of tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane?
tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane has a molecular weight of 508.80 g/mol, XLogP of 6.37, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane is sourced from PubChem (CID 10255720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).