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

C27H37NO3Si — CID 67835020

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C27H37NO3Si/c1-19(29)23-24(28(25(23)30)32(5,6)26(2,3)4)20-17-27(31-18-20,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,19-20,23-24,29H,17-18H2,1-6H3/t19-,20+,23+,24-/m0/s1
InChIKeySUZVCHFJQHJNGL-TYJFDUFHSA-N
MW451.68 g/mol
LogP5.18
Rot. Bonds5

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

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one (PubChem CID 67835020) 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-[(1S)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one
PubChem CID67835020
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-[(1S)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C27H37NO3Si/c1-19(29)23-24(28(25(23)30)32(5,6)26(2,3)4)20-17-27(31-18-20,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,19-20,23-24,29H,17-18H2,1-6H3/t19-,20+,23+,24-/m0/s1
InChIKeySUZVCHFJQHJNGL-TYJFDUFHSA-N
XLogP5.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[(1S)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one (CID 67835020) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-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-[(1S)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one is C[C@H](O)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[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-[(1S)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is SUZVCHFJQHJNGL-TYJFDUFHSA-N. The full InChI is InChI=1S/C27H37NO3Si/c1-19(29)23-24(28(25(23)30)32(5,6)26(2,3)4)20-17-27(31-18-20,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,19-20,23-24,29H,17-18H2,1-6H3/t19-,20+,23+,24-/m0/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(3S)-5,5-diphenyloxolan-3-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 451.68 g/mol, XLogP of 5.18, 5 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-[(1S)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 67835020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).