(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]

C19H36O4SSi — CID 162420134

IUPAC(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]
SMILESCCC1(CC)O[C@H]2CSC3(CO[Si](C(C)(C)C)(C(C)(C)C)OC3)[C@H]2O1
InChIInChI=1S/C19H36O4SSi/c1-9-19(10-2)22-14-11-24-18(15(14)23-19)12-20-25(21-13-18,16(3,4)5)17(6,7)8/h14-15H,9-13H2,1-8H3/t14-,15-/m0/s1
InChIKeyRJRQYJRXLSFKIX-GJZGRUSLSA-N
MW388.65 g/mol
LogP4.86
Rot. Bonds2

About (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]

(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] (PubChem CID 162420134) has the molecular formula C19H36O4SSi and a molecular weight of 388.65 g/mol. Its IUPAC name is (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].

Molecular Properties

Compound Name(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]
PubChem CID162420134
Molecular FormulaC19H36O4SSi
Molecular Weight388.65 g/mol
Exact Mass388.21
IUPAC Name(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]
SMILESCCC1(CC)O[C@H]2CSC3(CO[Si](C(C)(C)C)(C(C)(C)C)OC3)[C@H]2O1
InChIInChI=1S/C19H36O4SSi/c1-9-19(10-2)22-14-11-24-18(15(14)23-19)12-20-25(21-13-18,16(3,4)5)17(6,7)8/h14-15H,9-13H2,1-8H3/t14-,15-/m0/s1
InChIKeyRJRQYJRXLSFKIX-GJZGRUSLSA-N
XLogP4.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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]?
The IUPAC name of (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) is (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].
What is the SMILES notation for (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]?
The canonical SMILES for (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] is CCC1(CC)O[C@H]2CSC3(CO[Si](C(C)(C)C)(C(C)(C)C)OC3)[C@H]2O1.
What is the InChIKey of (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]?
The InChIKey is RJRQYJRXLSFKIX-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H36O4SSi/c1-9-19(10-2)22-14-11-24-18(15(14)23-19)12-20-25(21-13-18,16(3,4)5)17(6,7)8/h14-15H,9-13H2,1-8H3/t14-,15-/m0/s1.
What are the key properties of (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]?
(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] has a molecular weight of 388.65 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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] is sourced from PubChem (CID 162420134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).