4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one

C31H45NO3Si — CID 173005126

IUPAC4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C1CN(C2CCCC(O)CCC2)C(=O)C1(C)C
InChIInChI=1S/C31H45NO3Si/c1-30(2,3)28(35-36(25-18-8-6-9-19-25)26-20-10-7-11-21-26)27-22-32(29(34)31(27,4)5)23-14-12-16-24(33)17-13-15-23/h6-11,18-21,23-24,27-28,33,36H,12-17,22H2,1-5H3
InChIKeyVODSYANJNNHAGR-UHFFFAOYSA-N
MW507.79 g/mol
LogP4.52
Rot. Bonds6

About 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one

4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one (PubChem CID 173005126) has the molecular formula C31H45NO3Si and a molecular weight of 507.79 g/mol. Its IUPAC name is 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one
PubChem CID173005126
Molecular FormulaC31H45NO3Si
Molecular Weight507.79 g/mol
Exact Mass507.32
IUPAC Name4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C1CN(C2CCCC(O)CCC2)C(=O)C1(C)C
InChIInChI=1S/C31H45NO3Si/c1-30(2,3)28(35-36(25-18-8-6-9-19-25)26-20-10-7-11-21-26)27-22-32(29(34)31(27,4)5)23-14-12-16-24(33)17-13-15-23/h6-11,18-21,23-24,27-28,33,36H,12-17,22H2,1-5H3
InChIKeyVODSYANJNNHAGR-UHFFFAOYSA-N
XLogP4.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one (CID 173005126) is 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one is CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C1CN(C2CCCC(O)CCC2)C(=O)C1(C)C.
What is the InChIKey of 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one?
The InChIKey is VODSYANJNNHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45NO3Si/c1-30(2,3)28(35-36(25-18-8-6-9-19-25)26-20-10-7-11-21-26)27-22-32(29(34)31(27,4)5)23-14-12-16-24(33)17-13-15-23/h6-11,18-21,23-24,27-28,33,36H,12-17,22H2,1-5H3.
What are the key properties of 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one?
4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one has a molecular weight of 507.79 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(5-hydroxycyclooctyl)-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 173005126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).