tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane

C32H40O5SSi — CID 59765780

IUPACtert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1C(Sc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1
InChIInChI=1S/C32H40O5SSi/c1-32(2,3)39(4,5)37-29-28(33-21-23-15-9-6-10-16-23)27-26(35-31(29)38-25-19-13-8-14-20-25)22-34-30(36-27)24-17-11-7-12-18-24/h6-20,26-31H,21-22H2,1-5H3
InChIKeyLOWDZFWOQUTKFH-UHFFFAOYSA-N
MW564.82 g/mol
LogP7.59
Rot. Bonds8

About tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane

tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane (PubChem CID 59765780) has the molecular formula C32H40O5SSi and a molecular weight of 564.82 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane
PubChem CID59765780
Molecular FormulaC32H40O5SSi
Molecular Weight564.82 g/mol
Exact Mass564.24
IUPAC Nametert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1C(Sc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1
InChIInChI=1S/C32H40O5SSi/c1-32(2,3)39(4,5)37-29-28(33-21-23-15-9-6-10-16-23)27-26(35-31(29)38-25-19-13-8-14-20-25)22-34-30(36-27)24-17-11-7-12-18-24/h6-20,26-31H,21-22H2,1-5H3
InChIKeyLOWDZFWOQUTKFH-UHFFFAOYSA-N
XLogP7.59
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane (CID 59765780) is tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane is CC(C)(C)[Si](C)(C)OC1C(Sc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane?
The InChIKey is LOWDZFWOQUTKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O5SSi/c1-32(2,3)39(4,5)37-29-28(33-21-23-15-9-6-10-16-23)27-26(35-31(29)38-25-19-13-8-14-20-25)22-34-30(36-27)24-17-11-7-12-18-24/h6-20,26-31H,21-22H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane?
tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane has a molecular weight of 564.82 g/mol, XLogP of 7.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-phenyl-8-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxy]silane is sourced from PubChem (CID 59765780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).