tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane

C32H34O3SSi — CID 134941081

IUPACtert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane
SMILESCOc1ccc(S/C=C/c2cc(OC)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)cc1
InChIInChI=1S/C32H34O3SSi/c1-32(2,3)37(30-12-8-6-9-13-30,31-14-10-7-11-15-31)35-28-23-25(22-27(24-28)34-5)20-21-36-29-18-16-26(33-4)17-19-29/h6-24H,1-5H3/b21-20+
InChIKeyRSYVFXXIRGPEDI-QZQOTICOSA-N
MW526.77 g/mol
LogP7.41
Rot. Bonds9

About tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane

tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane (PubChem CID 134941081) has the molecular formula C32H34O3SSi and a molecular weight of 526.77 g/mol. Its IUPAC name is tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane
PubChem CID134941081
Molecular FormulaC32H34O3SSi
Molecular Weight526.77 g/mol
Exact Mass526.20
IUPAC Nametert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane
SMILESCOc1ccc(S/C=C/c2cc(OC)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)cc1
InChIInChI=1S/C32H34O3SSi/c1-32(2,3)37(30-12-8-6-9-13-30,31-14-10-7-11-15-31)35-28-23-25(22-27(24-28)34-5)20-21-36-29-18-16-26(33-4)17-19-29/h6-24H,1-5H3/b21-20+
InChIKeyRSYVFXXIRGPEDI-QZQOTICOSA-N
XLogP7.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.77
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-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

1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]ethanamine
CID 68688965
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline
CID 44515131
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
CID 11635755
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane (CID 134941081) is tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane is COc1ccc(S/C=C/c2cc(OC)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane?
The InChIKey is RSYVFXXIRGPEDI-QZQOTICOSA-N. The full InChI is InChI=1S/C32H34O3SSi/c1-32(2,3)37(30-12-8-6-9-13-30,31-14-10-7-11-15-31)35-28-23-25(22-27(24-28)34-5)20-21-36-29-18-16-26(33-4)17-19-29/h6-24H,1-5H3/b21-20+.
What are the key properties of tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane?
tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane has a molecular weight of 526.77 g/mol, XLogP of 7.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-methoxy-5-[(E)-2-(4-methoxyphenyl)sulfanylethenyl]phenoxy]-diphenylsilane is sourced from PubChem (CID 134941081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).