[(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

C29H39FO5Si — CID 59483098

IUPAC[(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
SMILESC=C(C)C(F)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC
InChIInChI=1S/C29H39FO5Si/c1-20(2)24(30)29(25(31-8)23-26(35-29)34-28(6,7)33-23)19-32-36(27(3,4)5,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-26H,1,19H2,2-8H3/t23-,24?,25+,26+,29+/m1/s1
InChIKeyLDRJNSUVVYFKJP-FBRGYJKSSA-N
MW514.71 g/mol
LogP4.74
Rot. Bonds8

About [(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

[(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 (PubChem CID 59483098) has the molecular formula C29H39FO5Si and a molecular weight of 514.71 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID59483098
Molecular FormulaC29H39FO5Si
Molecular Weight514.71 g/mol
Exact Mass514.26
IUPAC Name[(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
SMILESC=C(C)C(F)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC
InChIInChI=1S/C29H39FO5Si/c1-20(2)24(30)29(25(31-8)23-26(35-29)34-28(6,7)33-23)19-32-36(27(3,4)5,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-26H,1,19H2,2-8H3/t23-,24?,25+,26+,29+/m1/s1
InChIKeyLDRJNSUVVYFKJP-FBRGYJKSSA-N
XLogP4.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.71
LogP ≤ 54.74
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 [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C(C)C(F)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC.
What is the InChIKey of [(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?
The InChIKey is LDRJNSUVVYFKJP-FBRGYJKSSA-N. The full InChI is InChI=1S/C29H39FO5Si/c1-20(2)24(30)29(25(31-8)23-26(35-29)34-28(6,7)33-23)19-32-36(27(3,4)5,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-26H,1,19H2,2-8H3/t23-,24?,25+,26+,29+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 514.71 g/mol, XLogP of 4.74, 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-(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 is sourced from PubChem (CID 59483098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).