tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane

C25H34O4Si — CID 123473731

IUPACtert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane
SMILESCC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2OC(C)(C)OC21
InChIInChI=1S/C25H34O4Si/c1-18-21(27-23-22(18)28-25(5,6)29-23)17-26-30(24(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,17H2,1-6H3
InChIKeyFVQQNAYMLYODNG-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.08
Rot. Bonds5

About tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane

tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane (PubChem CID 123473731) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane
PubChem CID123473731
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Nametert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane
SMILESCC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2OC(C)(C)OC21
InChIInChI=1S/C25H34O4Si/c1-18-21(27-23-22(18)28-25(5,6)29-23)17-26-30(24(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,17H2,1-6H3
InChIKeyFVQQNAYMLYODNG-UHFFFAOYSA-N
XLogP4.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.08
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 tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane (CID 123473731) is tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane is CC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2OC(C)(C)OC21.
What is the InChIKey of tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane?
The InChIKey is FVQQNAYMLYODNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-18-21(27-23-22(18)28-25(5,6)29-23)17-26-30(24(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,17H2,1-6H3.
What are the key properties of tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane?
tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane has a molecular weight of 426.63 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]silane is sourced from PubChem (CID 123473731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).