(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one

C26H45NO4Si2 — CID 58844518

IUPAC(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H45NO4Si2/c1-18(31-33(10,11)26(5,6)7)23-21(27-24(23)29)16-22(28)20-14-12-13-19(15-20)17-30-32(8,9)25(2,3)4/h12-15,18,21,23H,16-17H2,1-11H3,(H,27,29)/t18-,21-,23-/m1/s1
InChIKeyRRCFSTCATOHPKS-JMUQELJHSA-N
MW491.82 g/mol
LogP6.31
Rot. Bonds9

About (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one (PubChem CID 58844518) has the molecular formula C26H45NO4Si2 and a molecular weight of 491.82 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one
PubChem CID58844518
Molecular FormulaC26H45NO4Si2
Molecular Weight491.82 g/mol
Exact Mass491.29
IUPAC Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H45NO4Si2/c1-18(31-33(10,11)26(5,6)7)23-21(27-24(23)29)16-22(28)20-14-12-13-19(15-20)17-30-32(8,9)25(2,3)4/h12-15,18,21,23H,16-17H2,1-11H3,(H,27,29)/t18-,21-,23-/m1/s1
InChIKeyRRCFSTCATOHPKS-JMUQELJHSA-N
XLogP6.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.82
LogP ≤ 56.31
H-Bond Donors ≤ 51
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,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one (CID 58844518) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one?
The InChIKey is RRCFSTCATOHPKS-JMUQELJHSA-N. The full InChI is InChI=1S/C26H45NO4Si2/c1-18(31-33(10,11)26(5,6)7)23-21(27-24(23)29)16-22(28)20-14-12-13-19(15-20)17-30-32(8,9)25(2,3)4/h12-15,18,21,23H,16-17H2,1-11H3,(H,27,29)/t18-,21-,23-/m1/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one?
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one has a molecular weight of 491.82 g/mol, XLogP of 6.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]azetidin-2-one is sourced from PubChem (CID 58844518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).