ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C18H33NO3Si — CID 167494824

IUPACethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CN2CCC(CO[Si](C)(C)C(C)(C)C)C2(C(=O)OCC)C1
InChIInChI=1S/C18H33NO3Si/c1-8-21-16(20)18-11-14(2)12-19(18)10-9-15(18)13-22-23(6,7)17(3,4)5/h15H,2,8-13H2,1,3-7H3
InChIKeyZVQFNIDDZNZCCU-UHFFFAOYSA-N
MW339.55 g/mol
LogP3.59
Rot. Bonds5

About ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate

ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 167494824) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID167494824
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Nameethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CN2CCC(CO[Si](C)(C)C(C)(C)C)C2(C(=O)OCC)C1
InChIInChI=1S/C18H33NO3Si/c1-8-21-16(20)18-11-14(2)12-19(18)10-9-15(18)13-22-23(6,7)17(3,4)5/h15H,2,8-13H2,1,3-7H3
InChIKeyZVQFNIDDZNZCCU-UHFFFAOYSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 167494824) is ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate is C=C1CN2CCC(CO[Si](C)(C)C(C)(C)C)C2(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is ZVQFNIDDZNZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-8-21-16(20)18-11-14(2)12-19(18)10-9-15(18)13-22-23(6,7)17(3,4)5/h15H,2,8-13H2,1,3-7H3.
What are the key properties of ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 339.55 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 167494824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).