(5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one

C23H43NO3Si — CID 11350383

IUPAC(5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one
SMILESCCCCCC(=O)/C=C/[C@H]1CCC(=O)N1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H43NO3Si/c1-8-9-10-11-22(25)14-12-21-13-15-23(26)24(21)16-17-27-28(18(2)3,19(4)5)20(6)7/h12,14,18-21H,8-11,13,15-17H2,1-7H3/b14-12+/t21-/m0/s1
InChIKeyWORQAKYUAQJWSA-OSJHKOOESA-N
MW409.69 g/mol
LogP5.88
Rot. Bonds13

About (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one

(5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one (PubChem CID 11350383) has the molecular formula C23H43NO3Si and a molecular weight of 409.69 g/mol. Its IUPAC name is (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one
PubChem CID11350383
Molecular FormulaC23H43NO3Si
Molecular Weight409.69 g/mol
Exact Mass409.30
IUPAC Name(5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one
SMILESCCCCCC(=O)/C=C/[C@H]1CCC(=O)N1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H43NO3Si/c1-8-9-10-11-22(25)14-12-21-13-15-23(26)24(21)16-17-27-28(18(2)3,19(4)5)20(6)7/h12,14,18-21H,8-11,13,15-17H2,1-7H3/b14-12+/t21-/m0/s1
InChIKeyWORQAKYUAQJWSA-OSJHKOOESA-N
XLogP5.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.69
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one (CID 11350383) is (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one is CCCCCC(=O)/C=C/[C@H]1CCC(=O)N1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one?
The InChIKey is WORQAKYUAQJWSA-OSJHKOOESA-N. The full InChI is InChI=1S/C23H43NO3Si/c1-8-9-10-11-22(25)14-12-21-13-15-23(26)24(21)16-17-27-28(18(2)3,19(4)5)20(6)7/h12,14,18-21H,8-11,13,15-17H2,1-7H3/b14-12+/t21-/m0/s1.
What are the key properties of (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one?
(5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one has a molecular weight of 409.69 g/mol, XLogP of 5.88, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-3-oxooct-1-enyl]-1-[2-tri(propan-2-yl)silyloxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 11350383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).