[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane

C27H36O4Si — CID 101471317

IUPAC[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C27H36O4Si/c1-7-14-22-24-25(31-27(5,6)30-24)23(29-22)19-28-32(26(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h7-13,15-18,22-25H,1,14,19H2,2-6H3/t22-,23+,24-,25+/m0/s1
InChIKeySPJVTQNVGRIKHY-FQUZAXHOSA-N
MW452.67 g/mol
LogP4.43
Rot. Bonds7

About [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane

[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 101471317) has the molecular formula C27H36O4Si and a molecular weight of 452.67 g/mol. Its IUPAC name is [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID101471317
Molecular FormulaC27H36O4Si
Molecular Weight452.67 g/mol
Exact Mass452.24
IUPAC Name[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C27H36O4Si/c1-7-14-22-24-25(31-27(5,6)30-24)23(29-22)19-28-32(26(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h7-13,15-18,22-25H,1,14,19H2,2-6H3/t22-,23+,24-,25+/m0/s1
InChIKeySPJVTQNVGRIKHY-FQUZAXHOSA-N
XLogP4.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.67
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane (CID 101471317) is [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane is C=CC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is SPJVTQNVGRIKHY-FQUZAXHOSA-N. The full InChI is InChI=1S/C27H36O4Si/c1-7-14-22-24-25(31-27(5,6)30-24)23(29-22)19-28-32(26(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h7-13,15-18,22-25H,1,14,19H2,2-6H3/t22-,23+,24-,25+/m0/s1.
What are the key properties of [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane?
[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 452.67 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101471317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).