tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane

C22H30O3Si — CID 14044782

IUPACtert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
SMILESCC1(C)OC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H30O3Si/c1-21(2,3)26(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-18-16-23-22(4,5)25-18/h6-15,18H,16-17H2,1-5H3/t18-/m1/s1
InChIKeyIIEWCDRPCONQME-GOSISDBHSA-N
MW370.57 g/mol
LogP3.71
Rot. Bonds5

About tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane

tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane (PubChem CID 14044782) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
PubChem CID14044782
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Nametert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
SMILESCC1(C)OC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H30O3Si/c1-21(2,3)26(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-18-16-23-22(4,5)25-18/h6-15,18H,16-17H2,1-5H3/t18-/m1/s1
InChIKeyIIEWCDRPCONQME-GOSISDBHSA-N
XLogP3.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 53.71
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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane (CID 14044782) is tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane is CC1(C)OC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The InChIKey is IIEWCDRPCONQME-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-21(2,3)26(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-18-16-23-22(4,5)25-18/h6-15,18H,16-17H2,1-5H3/t18-/m1/s1.
What are the key properties of tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane has a molecular weight of 370.57 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 14044782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).