[(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane

C17H34O4SSi — CID 90943612

IUPAC[(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCSC1OC(CO[Si](C)(C)C(C)(C)C)C2OC(C)(C)O[C@@H]2[C@@H]1C
InChIInChI=1S/C17H34O4SSi/c1-11-13-14(21-17(5,6)20-13)12(19-15(11)22-7)10-18-23(8,9)16(2,3)4/h11-15H,10H2,1-9H3/t11-,12?,13+,14?,15?/m0/s1
InChIKeySUHUMUHVXHCBQT-UXGIXRSJSA-N
MW362.61 g/mol
LogP4.25
Rot. Bonds4

About [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane

[(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 90943612) has the molecular formula C17H34O4SSi and a molecular weight of 362.61 g/mol. Its IUPAC name is [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID90943612
Molecular FormulaC17H34O4SSi
Molecular Weight362.61 g/mol
Exact Mass362.19
IUPAC Name[(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCSC1OC(CO[Si](C)(C)C(C)(C)C)C2OC(C)(C)O[C@@H]2[C@@H]1C
InChIInChI=1S/C17H34O4SSi/c1-11-13-14(21-17(5,6)20-13)12(19-15(11)22-7)10-18-23(8,9)16(2,3)4/h11-15H,10H2,1-9H3/t11-,12?,13+,14?,15?/m0/s1
InChIKeySUHUMUHVXHCBQT-UXGIXRSJSA-N
XLogP4.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane (CID 90943612) is [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane is CSC1OC(CO[Si](C)(C)C(C)(C)C)C2OC(C)(C)O[C@@H]2[C@@H]1C.
What is the InChIKey of [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is SUHUMUHVXHCBQT-UXGIXRSJSA-N. The full InChI is InChI=1S/C17H34O4SSi/c1-11-13-14(21-17(5,6)20-13)12(19-15(11)22-7)10-18-23(8,9)16(2,3)4/h11-15H,10H2,1-9H3/t11-,12?,13+,14?,15?/m0/s1.
What are the key properties of [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
[(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 362.61 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S,7aR)-2,2,7-trimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 90943612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).