2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane

C19H36O5Si — CID 11036091

IUPAC2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@]1(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C19H36O5Si/c1-10-12-20-19(7)14(11-13-21-25(8,9)17(2,3)4)22-16-15(19)23-18(5,6)24-16/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-,19-/m1/s1
InChIKeyXTIQKKDFVXLPQY-YYAJDYIMSA-N
MW372.58 g/mol
LogP4.24
Rot. Bonds7

About 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane

2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 11036091) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID11036091
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@]1(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C19H36O5Si/c1-10-12-20-19(7)14(11-13-21-25(8,9)17(2,3)4)22-16-15(19)23-18(5,6)24-16/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-,19-/m1/s1
InChIKeyXTIQKKDFVXLPQY-YYAJDYIMSA-N
XLogP4.24
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.24
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 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane (CID 11036091) is 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane is C=CCO[C@]1(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is XTIQKKDFVXLPQY-YYAJDYIMSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-10-12-20-19(7)14(11-13-21-25(8,9)17(2,3)4)22-16-15(19)23-18(5,6)24-16/h10,14-16H,1,11-13H2,2-9H3/t14-,15+,16-,19-/m1/s1.
What are the key properties of 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 372.58 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11036091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).