2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane

C26H36O4Si — CID 158384116

IUPAC2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane
SMILESC[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O4Si/c1-19-22(28-24-23(19)29-26(5,6)30-24)17-18-27-31(25(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22-,23-,24-/m1/s1
InChIKeyPFBPANUQVHWYLE-OTUUDDROSA-N
MW440.66 g/mol
LogP4.47
Rot. Bonds6

About 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane

2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 158384116) has the molecular formula C26H36O4Si and a molecular weight of 440.66 g/mol. Its IUPAC name is 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane
PubChem CID158384116
Molecular FormulaC26H36O4Si
Molecular Weight440.66 g/mol
Exact Mass440.24
IUPAC Name2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane
SMILESC[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O4Si/c1-19-22(28-24-23(19)29-26(5,6)30-24)17-18-27-31(25(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22-,23-,24-/m1/s1
InChIKeyPFBPANUQVHWYLE-OTUUDDROSA-N
XLogP4.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 54.47
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 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane (CID 158384116) is 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane is C[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is PFBPANUQVHWYLE-OTUUDDROSA-N. The full InChI is InChI=1S/C26H36O4Si/c1-19-22(28-24-23(19)29-26(5,6)30-24)17-18-27-31(25(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22-,23-,24-/m1/s1.
What are the key properties of 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane?
2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 440.66 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 158384116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).