[3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane

C18H32O5SSi — CID 46242861

IUPAC[3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane
SMILESCOCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1SC
InChIInChI=1S/C18H32O5SSi/c1-18(2,3)25(7,8)23-11-14-9-15(21-12-19-4)17(24-6)16(10-14)22-13-20-5/h9-10H,11-13H2,1-8H3
InChIKeyWUCCURGMHMAYDM-UHFFFAOYSA-N
MW388.60 g/mol
LogP4.90
Rot. Bonds10

About [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane

[3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 46242861) has the molecular formula C18H32O5SSi and a molecular weight of 388.60 g/mol. Its IUPAC name is [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane
PubChem CID46242861
Molecular FormulaC18H32O5SSi
Molecular Weight388.60 g/mol
Exact Mass388.17
IUPAC Name[3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane
SMILESCOCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1SC
InChIInChI=1S/C18H32O5SSi/c1-18(2,3)25(7,8)23-11-14-9-15(21-12-19-4)17(24-6)16(10-14)22-13-20-5/h9-10H,11-13H2,1-8H3
InChIKeyWUCCURGMHMAYDM-UHFFFAOYSA-N
XLogP4.90
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane (CID 46242861) is [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane is COCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1SC.
What is the InChIKey of [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WUCCURGMHMAYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5SSi/c1-18(2,3)25(7,8)23-11-14-9-15(21-12-19-4)17(24-6)16(10-14)22-13-20-5/h9-10H,11-13H2,1-8H3.
What are the key properties of [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane?
[3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 388.60 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(methoxymethoxy)-4-methylsulfanylphenyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 46242861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).