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

C30H40O5Si — CID 134840367

IUPACtert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane
SMILESC[C@H]1CC=CC2(OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC3OC(C)(C)OC32)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-ALMSKYSCSA-N
MW508.73 g/mol
LogP4.93
Rot. Bonds5

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

tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane (PubChem CID 134840367) has the molecular formula C30H40O5Si and a molecular weight of 508.73 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane
PubChem CID134840367
Molecular FormulaC30H40O5Si
Molecular Weight508.73 g/mol
Exact Mass508.26
IUPAC Nametert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane
SMILESC[C@H]1CC=CC2(OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC3OC(C)(C)OC32)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-ALMSKYSCSA-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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane (CID 134840367) is tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane is C[C@H]1CC=CC2(OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC3OC(C)(C)OC32)O1.
What is the InChIKey of tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane?
The InChIKey is MSKGXBVHNMDMPG-ALMSKYSCSA-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 tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane?
tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane 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 tert-butyl-diphenyl-[[(2S)-2,2',2'-trimethylspiro[2,3-dihydropyran-6,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methoxy]silane is sourced from PubChem (CID 134840367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).