(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one

C13H23NO2Si — CID 134980568

IUPAC(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
SMILESCC(C)[Si]1(C(C)C)O[C@@H]2CCN3C(=O)C[C@H]1C23
InChIInChI=1S/C13H23NO2Si/c1-8(2)17(9(3)4)11-7-12(15)14-6-5-10(16-17)13(11)14/h8-11,13H,5-7H2,1-4H3/t10-,11+,13?/m1/s1
InChIKeyZAGPGVMDLZIMFL-ILWADHIDSA-N
MW253.42 g/mol
LogP2.53
Rot. Bonds2

About (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one

(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one (PubChem CID 134980568) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one.

Molecular Properties

Compound Name(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
PubChem CID134980568
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Name(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
SMILESCC(C)[Si]1(C(C)C)O[C@@H]2CCN3C(=O)C[C@H]1C23
InChIInChI=1S/C13H23NO2Si/c1-8(2)17(9(3)4)11-7-12(15)14-6-5-10(16-17)13(11)14/h8-11,13H,5-7H2,1-4H3/t10-,11+,13?/m1/s1
InChIKeyZAGPGVMDLZIMFL-ILWADHIDSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,7R,8S)-8-hydroxy-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 134888846
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 170767569
(4R,7R,8S,10S)-8-hydroxy-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 10539938
(4R,7S,10S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 10777287
(4R,7R,8S,10R)-8-hydroxy-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 11043802
(7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 15705512
(7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475786

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one?
The IUPAC name of (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one (CID 134980568) is (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one.
What is the SMILES notation for (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one?
The canonical SMILES for (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one is CC(C)[Si]1(C(C)C)O[C@@H]2CCN3C(=O)C[C@H]1C23.
What is the InChIKey of (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one?
The InChIKey is ZAGPGVMDLZIMFL-ILWADHIDSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-8(2)17(9(3)4)11-7-12(15)14-6-5-10(16-17)13(11)14/h8-11,13H,5-7H2,1-4H3/t10-,11+,13?/m1/s1.
What are the key properties of (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one?
(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one has a molecular weight of 253.42 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one is sourced from PubChem (CID 134980568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).