[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane

C16H32O4SSi — CID 10970122

IUPAC[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCCS[C@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4SSi/c1-9-21-14-13(20-22(7,8)15(2,3)4)12-11(10-17-14)18-16(5,6)19-12/h11-14H,9-10H2,1-8H3/t11-,12-,13+,14-/m1/s1
InChIKeyHLQGOZZYXSCJSV-YIYPIFLZSA-N
MW348.58 g/mol
LogP4.01
Rot. Bonds4

About [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane

[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10970122) has the molecular formula C16H32O4SSi and a molecular weight of 348.58 g/mol. Its IUPAC name is [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10970122
Molecular FormulaC16H32O4SSi
Molecular Weight348.58 g/mol
Exact Mass348.18
IUPAC Name[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCCS[C@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4SSi/c1-9-21-14-13(20-22(7,8)15(2,3)4)12-11(10-17-14)18-16(5,6)19-12/h11-14H,9-10H2,1-8H3/t11-,12-,13+,14-/m1/s1
InChIKeyHLQGOZZYXSCJSV-YIYPIFLZSA-N
XLogP4.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

(3'aS,6'aR)-2,2-ditert-butyl-2',2'-diethylspiro[1,3,2-dioxasilinane-5,4'-6,6a-dihydro-3aH-thieno[3,4-d][1,3]dioxole]
CID 162420134
(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 22876212
2-[[(3aS,4R,6S,7R,7aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]ethanol
CID 22885295
[(3aS,4R,6S,7R,7aS)-7-(4-bromobutoxy)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
CID 22885298
[(3aR,6S,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 60076973
[(7R,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 60076998
[(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
tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane
CID 11003025
[(3aR,4R,6S,7S,7aS)-2,2,6-trimethyl-4-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11152255
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11302512
tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
CID 11429296
tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11717824

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (CID 10970122) is [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is CCS[C@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HLQGOZZYXSCJSV-YIYPIFLZSA-N. The full InChI is InChI=1S/C16H32O4SSi/c1-9-21-14-13(20-22(7,8)15(2,3)4)12-11(10-17-14)18-16(5,6)19-12/h11-14H,9-10H2,1-8H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 348.58 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10970122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).