(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one

C17H35NO2Si — CID 10733992

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one
SMILESCCCCC[C@@H](C)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C17H35NO2Si/c1-8-9-10-11-14(2)18-13-15(12-16(18)19)20-21(6,7)17(3,4)5/h14-15H,8-13H2,1-7H3/t14-,15+/m1/s1
InChIKeyGAOCODAECBKUGN-CABCVRRESA-N
MW313.56 g/mol
LogP4.58
Rot. Bonds7

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one (PubChem CID 10733992) has the molecular formula C17H35NO2Si and a molecular weight of 313.56 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one
PubChem CID10733992
Molecular FormulaC17H35NO2Si
Molecular Weight313.56 g/mol
Exact Mass313.24
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one
SMILESCCCCC[C@@H](C)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C17H35NO2Si/c1-8-9-10-11-14(2)18-13-15(12-16(18)19)20-21(6,7)17(3,4)5/h14-15H,8-13H2,1-7H3/t14-,15+/m1/s1
InChIKeyGAOCODAECBKUGN-CABCVRRESA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one (CID 10733992) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one is CCCCC[C@@H](C)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one?
The InChIKey is GAOCODAECBKUGN-CABCVRRESA-N. The full InChI is InChI=1S/C17H35NO2Si/c1-8-9-10-11-14(2)18-13-15(12-16(18)19)20-21(6,7)17(3,4)5/h14-15H,8-13H2,1-7H3/t14-,15+/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one has a molecular weight of 313.56 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 10733992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).