tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate

C32H48O4Si — CID 58934210

IUPACtert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)OCC1CCCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C32H48O4Si/c1-30(2,3)36-29(33)32(7,8)34-23-25-16-15-17-26(22-25)24-35-37(31(4,5)6,27-18-11-9-12-19-27)28-20-13-10-14-21-28/h9-14,18-21,25-26H,15-17,22-24H2,1-8H3
InChIKeyOFFPLQOSEAXVNT-UHFFFAOYSA-N
MW524.82 g/mol
LogP6.51
Rot. Bonds9

About tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate

tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate (PubChem CID 58934210) has the molecular formula C32H48O4Si and a molecular weight of 524.82 g/mol. Its IUPAC name is tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate
PubChem CID58934210
Molecular FormulaC32H48O4Si
Molecular Weight524.82 g/mol
Exact Mass524.33
IUPAC Nametert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)OCC1CCCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C32H48O4Si/c1-30(2,3)36-29(33)32(7,8)34-23-25-16-15-17-26(22-25)24-35-37(31(4,5)6,27-18-11-9-12-19-27)28-20-13-10-14-21-28/h9-14,18-21,25-26H,15-17,22-24H2,1-8H3
InChIKeyOFFPLQOSEAXVNT-UHFFFAOYSA-N
XLogP6.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.82
LogP ≤ 56.51
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 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate (CID 58934210) is tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)OCC1CCCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate?
The InChIKey is OFFPLQOSEAXVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O4Si/c1-30(2,3)36-29(33)32(7,8)34-23-25-16-15-17-26(22-25)24-35-37(31(4,5)6,27-18-11-9-12-19-27)28-20-13-10-14-21-28/h9-14,18-21,25-26H,15-17,22-24H2,1-8H3.
What are the key properties of tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate?
tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate has a molecular weight of 524.82 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate is sourced from PubChem (CID 58934210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).