tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane

C31H42O3SSi — CID 10554039

IUPACtert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane
SMILESCOCO[C@H](CCCCCSc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H42O3SSi/c1-31(2,3)36(29-20-12-6-13-21-29,30-22-14-7-15-23-30)34-25-27(33-26-32-4)17-9-8-16-24-35-28-18-10-5-11-19-28/h5-7,10-15,18-23,27H,8-9,16-17,24-26H2,1-4H3/t27-/m1/s1
InChIKeyBUUNATYLYJVKEC-HHHXNRCGSA-N
MW522.83 g/mol
LogP6.90
Rot. Bonds15

About tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane

tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane (PubChem CID 10554039) has the molecular formula C31H42O3SSi and a molecular weight of 522.83 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane
PubChem CID10554039
Molecular FormulaC31H42O3SSi
Molecular Weight522.83 g/mol
Exact Mass522.26
IUPAC Nametert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane
SMILESCOCO[C@H](CCCCCSc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H42O3SSi/c1-31(2,3)36(29-20-12-6-13-21-29,30-22-14-7-15-23-30)34-25-27(33-26-32-4)17-9-8-16-24-35-28-18-10-5-11-19-28/h5-7,10-15,18-23,27H,8-9,16-17,24-26H2,1-4H3/t27-/m1/s1
InChIKeyBUUNATYLYJVKEC-HHHXNRCGSA-N
XLogP6.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.83
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-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-[(2S,4S)-5-(1,3-dithian-2-yl)-2-(ethoxymethoxy)-4-methoxypentoxy]-diphenylsilane
CID 46702202
[(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
(6R)-2,2,26,26-tetramethyl-6-(oxan-2-yloxy)-3,3-diphenyl-4,8-dioxa-25-thia-3-silaheptacosane
CID 67391522
tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 139640160
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane
CID 10030212
(3S)-4-[(2S)-2-phenylsulfanylthian-2-yl]-3-(2-trimethylsilylethoxymethoxy)butane-1-thiol
CID 10049145
tert-butyl-dimethyl-[(3R)-4-[(2S)-2-phenylsulfanylthian-2-yl]-3-(2-trimethylsilylethoxymethoxy)butoxy]silane
CID 10076032
tert-butyl-[(1S)-1-[(2S)-3-(3,4-dihydro-2H-thiopyran-6-yl)-2-(2-trimethylsilylethoxymethoxy)propyl]but-3-enoxy]-diphenylsilane
CID 10077261
tert-butyl-[(4R)-4-(methoxymethoxy)-13-phenylsulfanyltridecoxy]-dimethylsilane
CID 10254694
tert-butyl-[(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
CID 10255720
(3R)-4-[(2S)-2-phenylsulfanylthian-2-yl]-3-(2-trimethylsilylethoxymethoxy)butane-1-thiol
CID 10366201

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane (CID 10554039) is tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane is COCO[C@H](CCCCCSc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane?
The InChIKey is BUUNATYLYJVKEC-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H42O3SSi/c1-31(2,3)36(29-20-12-6-13-21-29,30-22-14-7-15-23-30)34-25-27(33-26-32-4)17-9-8-16-24-35-28-18-10-5-11-19-28/h5-7,10-15,18-23,27H,8-9,16-17,24-26H2,1-4H3/t27-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane?
tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane has a molecular weight of 522.83 g/mol, XLogP of 6.90, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-(methoxymethoxy)-7-phenylsulfanylheptoxy]-diphenylsilane is sourced from PubChem (CID 10554039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).