[(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane

C30H40O5Si — CID 23726166

IUPAC[(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane
SMILESC[C@H]1CC=C[C@@]2(O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]3OC(C)(C)O[C@@H]32)O1
InChIInChI=1S/C30H40O5Si/c1-22-14-13-19-30(32-22)27-26(34-29(5,6)35-27)20-23(33-30)21-31-36(28(2,3)4,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-13,15-19,22-23,26-27H,14,20-21H2,1-6H3/t22-,23+,26-,27-,30-/m0/s1
InChIKeyMSKGXBVHNMDMPG-JWOALGMKSA-N
MW508.73 g/mol
LogP4.93
Rot. Bonds5

About [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane

[(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 23726166) has the molecular formula C30H40O5Si and a molecular weight of 508.73 g/mol. Its IUPAC name is [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID23726166
Molecular FormulaC30H40O5Si
Molecular Weight508.73 g/mol
Exact Mass508.26
IUPAC Name[(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane
SMILESC[C@H]1CC=C[C@@]2(O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]3OC(C)(C)O[C@@H]32)O1
InChIInChI=1S/C30H40O5Si/c1-22-14-13-19-30(32-22)27-26(34-29(5,6)35-27)20-23(33-30)21-31-36(28(2,3)4,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-13,15-19,22-23,26-27H,14,20-21H2,1-6H3/t22-,23+,26-,27-,30-/m0/s1
InChIKeyMSKGXBVHNMDMPG-JWOALGMKSA-N
XLogP4.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.73
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane (CID 23726166) is [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane is C[C@H]1CC=C[C@@]2(O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]3OC(C)(C)O[C@@H]32)O1.
What is the InChIKey of [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is MSKGXBVHNMDMPG-JWOALGMKSA-N. The full InChI is InChI=1S/C30H40O5Si/c1-22-14-13-19-30(32-22)27-26(34-29(5,6)35-27)20-23(33-30)21-31-36(28(2,3)4,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-13,15-19,22-23,26-27H,14,20-21H2,1-6H3/t22-,23+,26-,27-,30-/m0/s1.
What are the key properties of [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 508.73 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3'aS,6S,6'R,7'aS)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 23726166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).