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

C19H35NO3Si — CID 91932538

IUPAC7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC(C)(C)[Si](C)(C)OCCC12CCC(=O)N1C1(CCCCC1)OC2
InChIInChI=1S/C19H35NO3Si/c1-17(2,3)24(4,5)23-14-13-18-12-9-16(21)20(18)19(22-15-18)10-7-6-8-11-19/h6-15H2,1-5H3
InChIKeyKLFOPVCLGGOTQZ-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.45
Rot. Bonds4

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

7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (PubChem CID 91932538) has the molecular formula C19H35NO3Si and a molecular weight of 353.58 g/mol. Its IUPAC name is 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
PubChem CID91932538
Molecular FormulaC19H35NO3Si
Molecular Weight353.58 g/mol
Exact Mass353.24
IUPAC Name7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one
SMILESCC(C)(C)[Si](C)(C)OCCC12CCC(=O)N1C1(CCCCC1)OC2
InChIInChI=1S/C19H35NO3Si/c1-17(2,3)24(4,5)23-14-13-18-12-9-16(21)20(18)19(22-15-18)10-7-6-8-11-19/h6-15H2,1-5H3
InChIKeyKLFOPVCLGGOTQZ-UHFFFAOYSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]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'-Propyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930377
7a'-Ethyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91930387
7a'-((tert-Butyldimethylsilyloxy)methyl)dihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91932527
(6'R*,7a'S*)-7a'-Ethyl-6'-methyldihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-5'(6'H)-one
CID 91932537
2-(5'-Oxodihydro-1'H-spiro[cyclohexane-1,3'-pyrrolo[1,2-c]oxazol]-7a'(5'H)-yl)ethyl acetate
CID 91932546

Frequently Asked Questions

What is the IUPAC name of 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The IUPAC name of 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one (CID 91932538) is 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one.
What is the SMILES notation for 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The canonical SMILES for 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is CC(C)(C)[Si](C)(C)OCCC12CCC(=O)N1C1(CCCCC1)OC2.
What is the InChIKey of 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
The InChIKey is KLFOPVCLGGOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3Si/c1-17(2,3)24(4,5)23-14-13-18-12-9-16(21)20(18)19(22-15-18)10-7-6-8-11-19/h6-15H2,1-5H3.
What are the key properties of 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one?
7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one has a molecular weight of 353.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[6,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 91932538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).