[(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

C28H36F2O5Si — CID 59483026

IUPAC[(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
SMILESCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@]1(CC=C(F)F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36F2O5Si/c1-26(2,3)36(20-13-9-7-10-14-20,21-15-11-8-12-16-21)32-19-28(18-17-22(29)30)24(31-6)23-25(35-28)34-27(4,5)33-23/h7-17,23-25H,18-19H2,1-6H3/t23-,24+,25+,28-/m1/s1
InChIKeyIFBSUGKUDJWQHY-MEWSVHOLSA-N
MW518.67 g/mol
LogP5.00
Rot. Bonds8

About [(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

[(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 (PubChem CID 59483026) has the molecular formula C28H36F2O5Si and a molecular weight of 518.67 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID59483026
Molecular FormulaC28H36F2O5Si
Molecular Weight518.67 g/mol
Exact Mass518.23
IUPAC Name[(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
SMILESCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@]1(CC=C(F)F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36F2O5Si/c1-26(2,3)36(20-13-9-7-10-14-20,21-15-11-8-12-16-21)32-19-28(18-17-22(29)30)24(31-6)23-25(35-28)34-27(4,5)33-23/h7-17,23-25H,18-19H2,1-6H3/t23-,24+,25+,28-/m1/s1
InChIKeyIFBSUGKUDJWQHY-MEWSVHOLSA-N
XLogP5.00
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.67
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@]1(CC=C(F)F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(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?
The InChIKey is IFBSUGKUDJWQHY-MEWSVHOLSA-N. The full InChI is InChI=1S/C28H36F2O5Si/c1-26(2,3)36(20-13-9-7-10-14-20,21-15-11-8-12-16-21)32-19-28(18-17-22(29)30)24(31-6)23-25(35-28)34-27(4,5)33-23/h7-17,23-25H,18-19H2,1-6H3/t23-,24+,25+,28-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 518.67 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 59483026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).