(3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one

C24H31NO3Si — CID 67568405

IUPAC(3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one
SMILESCC(C)(CC[C@@H]1N[C@H](C2CC2)COC1=O)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3Si/c1-24(2,16-15-21-23(26)28-17-22(25-21)18-13-14-18)29(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22,25,27H,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyZRTIBVBPFXNECI-VXKWHMMOSA-N
MW409.60 g/mol
LogP2.59
Rot. Bonds7

About (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one

(3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one (PubChem CID 67568405) has the molecular formula C24H31NO3Si and a molecular weight of 409.60 g/mol. Its IUPAC name is (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one.

Molecular Properties

Compound Name(3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one
PubChem CID67568405
Molecular FormulaC24H31NO3Si
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Name(3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one
SMILESCC(C)(CC[C@@H]1N[C@H](C2CC2)COC1=O)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3Si/c1-24(2,16-15-21-23(26)28-17-22(25-21)18-13-14-18)29(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22,25,27H,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyZRTIBVBPFXNECI-VXKWHMMOSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one?
The IUPAC name of (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one (CID 67568405) is (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one.
What is the SMILES notation for (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one?
The canonical SMILES for (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one is CC(C)(CC[C@@H]1N[C@H](C2CC2)COC1=O)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one?
The InChIKey is ZRTIBVBPFXNECI-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H31NO3Si/c1-24(2,16-15-21-23(26)28-17-22(25-21)18-13-14-18)29(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22,25,27H,13-17H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one?
(3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one has a molecular weight of 409.60 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-cyclopropyl-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholin-2-one is sourced from PubChem (CID 67568405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).