tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane

C26H34O3Si — CID 66918808

IUPACtert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane
SMILESCC1(C)CCCC1C1OC=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C26H34O3Si/c1-25(2,3)30(20-13-8-6-9-14-20,21-15-10-7-11-16-21)29-23-19-27-24(28-23)22-17-12-18-26(22,4)5/h6-11,13-16,19,22,24H,12,17-18H2,1-5H3
InChIKeyUNUVVCPSGRXPMW-UHFFFAOYSA-N
MW422.64 g/mol
LogP5.56
Rot. Bonds5

About tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane

tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane (PubChem CID 66918808) has the molecular formula C26H34O3Si and a molecular weight of 422.64 g/mol. Its IUPAC name is tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane
PubChem CID66918808
Molecular FormulaC26H34O3Si
Molecular Weight422.64 g/mol
Exact Mass422.23
IUPAC Nametert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane
SMILESCC1(C)CCCC1C1OC=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C26H34O3Si/c1-25(2,3)30(20-13-8-6-9-14-20,21-15-10-7-11-16-21)29-23-19-27-24(28-23)22-17-12-18-26(22,4)5/h6-11,13-16,19,22,24H,12,17-18H2,1-5H3
InChIKeyUNUVVCPSGRXPMW-UHFFFAOYSA-N
XLogP5.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.64
LogP ≤ 55.56
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-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane (CID 66918808) is tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane is CC1(C)CCCC1C1OC=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane?
The InChIKey is UNUVVCPSGRXPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O3Si/c1-25(2,3)30(20-13-8-6-9-14-20,21-15-10-7-11-16-21)29-23-19-27-24(28-23)22-17-12-18-26(22,4)5/h6-11,13-16,19,22,24H,12,17-18H2,1-5H3.
What are the key properties of tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane?
tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane has a molecular weight of 422.64 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane is sourced from PubChem (CID 66918808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).