tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane

C28H40O3Si — CID 164671010

IUPACtert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane
SMILESCC1(C)OC2(CCCCC2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O3Si/c1-26(2,3)32(23-15-9-6-10-16-23,24-17-11-7-12-18-24)29-22-19-25-27(4,5)31-28(30-25)20-13-8-14-21-28/h6-7,9-12,15-18,25H,8,13-14,19-22H2,1-5H3/t25-/m1/s1
InChIKeyQSVUFIMTQOMCDD-RUZDIDTESA-N
MW452.71 g/mol
LogP5.81
Rot. Bonds6

About tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane (PubChem CID 164671010) has the molecular formula C28H40O3Si and a molecular weight of 452.71 g/mol. Its IUPAC name is tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane
PubChem CID164671010
Molecular FormulaC28H40O3Si
Molecular Weight452.71 g/mol
Exact Mass452.27
IUPAC Nametert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane
SMILESCC1(C)OC2(CCCCC2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O3Si/c1-26(2,3)32(23-15-9-6-10-16-23,24-17-11-7-12-18-24)29-22-19-25-27(4,5)31-28(30-25)20-13-8-14-21-28/h6-7,9-12,15-18,25H,8,13-14,19-22H2,1-5H3/t25-/m1/s1
InChIKeyQSVUFIMTQOMCDD-RUZDIDTESA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane (CID 164671010) is tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane is CC1(C)OC2(CCCCC2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is QSVUFIMTQOMCDD-RUZDIDTESA-N. The full InChI is InChI=1S/C28H40O3Si/c1-26(2,3)32(23-15-9-6-10-16-23,24-17-11-7-12-18-24)29-22-19-25-27(4,5)31-28(30-25)20-13-8-14-21-28/h6-7,9-12,15-18,25H,8,13-14,19-22H2,1-5H3/t25-/m1/s1.
What are the key properties of tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 452.71 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 164671010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).