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

C27H38O4Si — CID 146778635

IUPAC[(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC[C@]1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C27H38O4Si/c1-8-27(7)22(29-24-23(27)30-26(5,6)31-24)19-28-32(25(2,3)4,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-24H,8,19H2,1-7H3/t22-,23+,24-,27-/m1/s1
InChIKeyRTFLKUVJVBMBOJ-JPYYHWIRSA-N
MW454.68 g/mol
LogP4.86
Rot. Bonds6

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

[(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 146778635) has the molecular formula C27H38O4Si and a molecular weight of 454.68 g/mol. Its IUPAC name is [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID146778635
Molecular FormulaC27H38O4Si
Molecular Weight454.68 g/mol
Exact Mass454.25
IUPAC Name[(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC[C@]1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C27H38O4Si/c1-8-27(7)22(29-24-23(27)30-26(5,6)31-24)19-28-32(25(2,3)4,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-24H,8,19H2,1-7H3/t22-,23+,24-,27-/m1/s1
InChIKeyRTFLKUVJVBMBOJ-JPYYHWIRSA-N
XLogP4.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 146778635) is [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is CC[C@]1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is RTFLKUVJVBMBOJ-JPYYHWIRSA-N. The full InChI is InChI=1S/C27H38O4Si/c1-8-27(7)22(29-24-23(27)30-26(5,6)31-24)19-28-32(25(2,3)4,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-24H,8,19H2,1-7H3/t22-,23+,24-,27-/m1/s1.
What are the key properties of [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 454.68 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,6R,6aR)-6-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 146778635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).