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

C29H40O5Si — CID 59483252

IUPAC[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C(C)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/c1-21(2)19-29(25(30-8)24-26(34-29)33-28(6,7)32-24)20-31-35(27(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-26H,1,19-20H2,2-8H3/t24-,25+,26+,29-/m1/s1
InChIKeyWGVUXGJTLMAVAG-DAMQTCOWSA-N
MW496.72 g/mol
LogP4.79
Rot. Bonds8

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

[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59483252) has the molecular formula C29H40O5Si and a molecular weight of 496.72 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-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)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID59483252
Molecular FormulaC29H40O5Si
Molecular Weight496.72 g/mol
Exact Mass496.26
IUPAC Name[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C(C)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/c1-21(2)19-29(25(30-8)24-26(34-29)33-28(6,7)32-24)20-31-35(27(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-26H,1,19-20H2,2-8H3/t24-,25+,26+,29-/m1/s1
InChIKeyWGVUXGJTLMAVAG-DAMQTCOWSA-N
XLogP4.79
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 ≤ 54.79
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,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 59751308
[(3aR,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102183815
[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 140673781
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
1-[(1R,2S,5S,7R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-9,9-dimethyl-6,8,10-trioxa-3-azatricyclo[5.3.0.02,5]decan-3-yl]-2,2,2-trifluoroethanone
CID 101251521
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 70790141
(4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylic acid
CID 122173438
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methyl acetate
CID 123880109
(3aR,5S,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772714
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
[(3aS,4R,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 12000417

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-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)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 59483252) is [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-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)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-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)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is C=C(C)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)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is WGVUXGJTLMAVAG-DAMQTCOWSA-N. The full InChI is InChI=1S/C29H40O5Si/c1-21(2)19-29(25(30-8)24-26(34-29)33-28(6,7)32-24)20-31-35(27(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-26H,1,19-20H2,2-8H3/t24-,25+,26+,29-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-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 4.79, 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)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 59483252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).