[(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C29H38O5Si — CID 135021993

IUPAC[(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CCO[C@@]1(C=C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C29H38O5Si/c1-8-20-30-29(9-2)24(32-26-25(29)33-28(6,7)34-26)21-31-35(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8-19,24-26H,1-2,20-21H2,3-7H3/t24-,25+,26-,29-/m0/s1
InChIKeyYFSMXBKNMDEOII-BVXNIFABSA-N
MW494.70 g/mol
LogP4.57
Rot. Bonds9

About [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 135021993) has the molecular formula C29H38O5Si and a molecular weight of 494.70 g/mol. Its IUPAC name is [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID135021993
Molecular FormulaC29H38O5Si
Molecular Weight494.70 g/mol
Exact Mass494.25
IUPAC Name[(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CCO[C@@]1(C=C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C29H38O5Si/c1-8-20-30-29(9-2)24(32-26-25(29)33-28(6,7)34-26)21-31-35(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8-19,24-26H,1-2,20-21H2,3-7H3/t24-,25+,26-,29-/m0/s1
InChIKeyYFSMXBKNMDEOII-BVXNIFABSA-N
XLogP4.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.70
LogP ≤ 54.57
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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Related Compounds

(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
(6-Benzyloxy-2,2-dimethyl-5-vinyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-ylmethoxy)-tert-butyl-diphenyl-silane
CID 67360139
tert-Butyl(((3aR,5S,6aR)-2,2-dimethyl-6-methylenetetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy)diphenylsilane
CID 102013008
(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 135022023
[(3aR,5R,6S,6aR)-5-(3,3-difluoroprop-2-enyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483026
[(3aR,5R,6S,6aR)-5-(1-fluoro-2-methylprop-2-enyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483098
[(3aR,5R,6S,6aR)-5-(1-fluoroprop-2-enyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483207
Tert-butyl-[[6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-diphenylsilane
CID 123786575
[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 140772722
(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 171471766

Frequently Asked Questions

What is the IUPAC name of [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 135021993) is [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is C=CCO[C@@]1(C=C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is YFSMXBKNMDEOII-BVXNIFABSA-N. The full InChI is InChI=1S/C29H38O5Si/c1-8-20-30-29(9-2)24(32-26-25(29)33-28(6,7)34-26)21-31-35(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8-19,24-26H,1-2,20-21H2,3-7H3/t24-,25+,26-,29-/m0/s1.
What are the key properties of [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 494.70 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,5S,6S,6aS)-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 135021993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).