(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one

C27H37NO3Si — CID 67835018

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CCO)[C@@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C27H37NO3Si/c1-26(2,3)32(4,5)28-24(23(16-17-29)25(28)30)20-18-27(31-19-20,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-24,29H,16-19H2,1-5H3/t20-,23+,24+/m1/s1
InChIKeyUUSAJMDSHSGTEP-QDSKXPNFSA-N
MW451.68 g/mol
LogP5.18
Rot. Bonds6

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one (PubChem CID 67835018) has the molecular formula C27H37NO3Si and a molecular weight of 451.68 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one
PubChem CID67835018
Molecular FormulaC27H37NO3Si
Molecular Weight451.68 g/mol
Exact Mass451.25
IUPAC Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CCO)[C@@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C27H37NO3Si/c1-26(2,3)32(4,5)28-24(23(16-17-29)25(28)30)20-18-27(31-19-20,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-24,29H,16-19H2,1-5H3/t20-,23+,24+/m1/s1
InChIKeyUUSAJMDSHSGTEP-QDSKXPNFSA-N
XLogP5.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 55.18
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 (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one (CID 67835018) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one is CC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CCO)[C@@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one?
The InChIKey is UUSAJMDSHSGTEP-QDSKXPNFSA-N. The full InChI is InChI=1S/C27H37NO3Si/c1-26(2,3)32(4,5)28-24(23(16-17-29)25(28)30)20-18-27(31-19-20,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-24,29H,16-19H2,1-5H3/t20-,23+,24+/m1/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one has a molecular weight of 451.68 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-(2-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 67835018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).