tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate

C27H39NO4Si — CID 86709010

IUPACtert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCOC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-23-18-13-19-30-24(23)20-31-33(27(4,5)6,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23-24H,13,18-20H2,1-6H3,(H,28,29)
InChIKeyGHGUVMOBFNLXRH-UHFFFAOYSA-N
MW469.70 g/mol
LogP4.64
Rot. Bonds6

About tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate

tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate (PubChem CID 86709010) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
PubChem CID86709010
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCOC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-23-18-13-19-30-24(23)20-31-33(27(4,5)6,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23-24H,13,18-20H2,1-6H3,(H,28,29)
InChIKeyGHGUVMOBFNLXRH-UHFFFAOYSA-N
XLogP4.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.64
H-Bond Donors ≤ 51
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 N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate (CID 86709010) is tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCOC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
The InChIKey is GHGUVMOBFNLXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-26(2,3)32-25(29)28-23-18-13-19-30-24(23)20-31-33(27(4,5)6,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,23-24H,13,18-20H2,1-6H3,(H,28,29).
What are the key properties of tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate?
tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate has a molecular weight of 469.70 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate is sourced from PubChem (CID 86709010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).