(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

C13H23NO3Si — CID 11043802

IUPAC(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
SMILESCC(C)[Si]1(C(C)C)O[C@@H]2CCN3C(=O)[C@H](O)[C@H]1[C@@H]23
InChIInChI=1S/C13H23NO3Si/c1-7(2)18(8(3)4)12-10-9(17-18)5-6-14(10)13(16)11(12)15/h7-12,15H,5-6H2,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyGCCMWCWRACUDFS-DDHJBXDOSA-N
MW269.42 g/mol
LogP1.50
Rot. Bonds2

About (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

(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 (PubChem CID 11043802) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11043802
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name(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
SMILESCC(C)[Si]1(C(C)C)O[C@@H]2CCN3C(=O)[C@H](O)[C@H]1[C@@H]23
InChIInChI=1S/C13H23NO3Si/c1-7(2)18(8(3)4)12-10-9(17-18)5-6-14(10)13(16)11(12)15/h7-12,15H,5-6H2,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyGCCMWCWRACUDFS-DDHJBXDOSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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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
(4R,7S)-6,6-di(propan-2-yl)-5-oxa-1-aza-6-silatricyclo[5.2.1.04,10]decan-9-one
CID 134980568
(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
(2R,7R,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475787
(2R,7S,8S)-7-hydroxy-2-tri(propan-2-yl)silyloxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102475788

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[Si]1(C(C)C)O[C@@H]2CCN3C(=O)[C@H](O)[C@H]1[C@@H]23.
What is the InChIKey of (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?
The InChIKey is GCCMWCWRACUDFS-DDHJBXDOSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-7(2)18(8(3)4)12-10-9(17-18)5-6-14(10)13(16)11(12)15/h7-12,15H,5-6H2,1-4H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 269.42 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11043802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).