[(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C24H32O4Si — CID 162472526

IUPAC[(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)OC2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O1
InChIInChI=1S/C24H32O4Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)25-17-18-16-21-22(26-18)28-24(4,5)27-21/h6-15,18,21-22H,16-17H2,1-5H3/t18-,21+,22?/m0/s1
InChIKeyYBYPDGJMQGKASW-UTCGOKLKSA-N
MW412.60 g/mol
LogP3.83
Rot. Bonds5

About [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 162472526) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID162472526
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Name[(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)OC2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O1
InChIInChI=1S/C24H32O4Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)25-17-18-16-21-22(26-18)28-24(4,5)27-21/h6-15,18,21-22H,16-17H2,1-5H3/t18-,21+,22?/m0/s1
InChIKeyYBYPDGJMQGKASW-UTCGOKLKSA-N
XLogP3.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate
CID 161404652
tert-Butyl((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)diphenylsilane
CID 3288786
(3aR,6R,6aR)-6-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10550491
tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane
CID 134841778
(3aS,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11954920
Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10408712
1-(((4S)-2,2-Dimethyl(1,3-dioxolan-4-yl))methoxy)-2,2-dimethyl-1,1-diphenyl-1-silapropane
CID 10714242
(3aR,5R,6aS)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyldihydrofuro[2,3-d][1,3]dioxol-6(3aH)-one
CID 11004448
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 14044782
tert-Butyl(((3aR,5S,6aR)-2,2-dimethyl-6-methylenetetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy)diphenylsilane
CID 102013008

Frequently Asked Questions

What is the IUPAC name of [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 162472526) is [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)OC2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O1.
What is the InChIKey of [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is YBYPDGJMQGKASW-UTCGOKLKSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)25-17-18-16-21-22(26-18)28-24(4,5)27-21/h6-15,18,21-22H,16-17H2,1-5H3/t18-,21+,22?/m0/s1.
What are the key properties of [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 412.60 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 162472526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).