7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one

C18H33NO3Si — CID 91932527

IUPAC7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC(C)(C)[Si](C)(C)OCC12CCC(=O)N1C1(CCCCC1)OC2
InChIInChI=1S/C18H33NO3Si/c1-16(2,3)23(4,5)22-14-17-12-9-15(20)19(17)18(21-13-17)10-7-6-8-11-18/h6-14H2,1-5H3
InChIKeyBSCSXUBEJSHYIG-UHFFFAOYSA-N
MW339.55 g/mol
LogP4.06
Rot. Bonds3

About 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one

7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (PubChem CID 91932527) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
PubChem CID91932527
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Name7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC(C)(C)[Si](C)(C)OCC12CCC(=O)N1C1(CCCCC1)OC2
InChIInChI=1S/C18H33NO3Si/c1-16(2,3)23(4,5)22-14-17-12-9-15(20)19(17)18(21-13-17)10-7-6-8-11-18/h6-14H2,1-5H3
InChIKeyBSCSXUBEJSHYIG-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one with MolForge

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Related Compounds

7a'-Ethyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930387
7a'-Methyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930399
7a'-(2-(tert-Butyldimethylsilyloxy)ethyl)dihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91932538
3,3-dimethyl-7a-(2-trimethylsilylethynyl)-6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 71530350

Frequently Asked Questions

What is the IUPAC name of 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The IUPAC name of 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (CID 91932527) is 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.
What is the SMILES notation for 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The canonical SMILES for 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is CC(C)(C)[Si](C)(C)OCC12CCC(=O)N1C1(CCCCC1)OC2.
What is the InChIKey of 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The InChIKey is BSCSXUBEJSHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-16(2,3)23(4,5)22-14-17-12-9-15(20)19(17)18(21-13-17)10-7-6-8-11-18/h6-14H2,1-5H3.
What are the key properties of 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one has a molecular weight of 339.55 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 91932527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).