[(3aR,5R,6S,6aR)-5-but-3-en-2-yl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C29H40O5Si — CID 59483187

IUPAC[(3aR,5R,6S,6aR)-5-but-3-en-2-yl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC(C)[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/C29H40O5Si/c1-9-21(2)29(25(30-8)24-26(34-29)33-28(6,7)32-24)20-31-35(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h9-19,21,24-26H,1,20H2,2-8H3/t21?,24-,25+,26+,29+/m1/s1
InChIKeyLWPXDQLORLLEJJ-QLEXGRBOSA-N
MW496.72 g/mol
LogP4.65
Rot. Bonds8

About [(3aR,5R,6S,6aR)-5-but-3-en-2-yl-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-but-3-en-2-yl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59483187) has the molecular formula C29H40O5Si and a molecular weight of 496.72 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-5-but-3-en-2-yl-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-but-3-en-2-yl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID59483187
Molecular FormulaC29H40O5Si
Molecular Weight496.72 g/mol
Exact Mass496.26
IUPAC Name[(3aR,5R,6S,6aR)-5-but-3-en-2-yl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC(C)[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/C29H40O5Si/c1-9-21(2)29(25(30-8)24-26(34-29)33-28(6,7)32-24)20-31-35(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h9-19,21,24-26H,1,20H2,2-8H3/t21?,24-,25+,26+,29+/m1/s1
InChIKeyLWPXDQLORLLEJJ-QLEXGRBOSA-N
XLogP4.65
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.72
LogP ≤ 54.65
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-but-3-en-2-yl-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-but-3-en-2-yl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 59483187) is [(3aR,5R,6S,6aR)-5-but-3-en-2-yl-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-but-3-en-2-yl-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-but-3-en-2-yl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is C=CC(C)[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-but-3-en-2-yl-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 LWPXDQLORLLEJJ-QLEXGRBOSA-N. The full InChI is InChI=1S/C29H40O5Si/c1-9-21(2)29(25(30-8)24-26(34-29)33-28(6,7)32-24)20-31-35(27(3,4)5,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h9-19,21,24-26H,1,20H2,2-8H3/t21?,24-,25+,26+,29+/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-5-but-3-en-2-yl-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-but-3-en-2-yl-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 496.72 g/mol, XLogP of 4.65, 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-but-3-en-2-yl-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 59483187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).