(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C15H29NO2Si — CID 145114026

IUPAC(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H]2CCC(=O)N2C1
InChIInChI=1S/C15H29NO2Si/c1-15(2,3)19(4,5)18-11-12-6-7-13-8-9-14(17)16(13)10-12/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyVLWBNRCYWGYFMA-OLZOCXBDSA-N
MW283.49 g/mol
LogP3.41
Rot. Bonds3

About (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 145114026) has the molecular formula C15H29NO2Si and a molecular weight of 283.49 g/mol. Its IUPAC name is (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID145114026
Molecular FormulaC15H29NO2Si
Molecular Weight283.49 g/mol
Exact Mass283.20
IUPAC Name(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H]2CCC(=O)N2C1
InChIInChI=1S/C15H29NO2Si/c1-15(2,3)19(4,5)18-11-12-6-7-13-8-9-14(17)16(13)10-12/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyVLWBNRCYWGYFMA-OLZOCXBDSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 145114026) is (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H]2CCC(=O)N2C1.
What is the InChIKey of (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is VLWBNRCYWGYFMA-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H29NO2Si/c1-15(2,3)19(4,5)18-11-12-6-7-13-8-9-14(17)16(13)10-12/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 283.49 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 145114026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).