(3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one

C20H33NO4Si2 — CID 11350315

IUPAC(3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H33NO4Si2/c1-8-14-21-18(17(25-27(5,6)7)15-23-26(2,3)4)19(20(21)22)24-16-12-10-9-11-13-16/h8-13,17-19H,1,14-15H2,2-7H3/t17-,18+,19-/m1/s1
InChIKeyDQPKJLIILIJMHL-CEXWTWQISA-N
MW407.66 g/mol
LogP3.90
Rot. Bonds10

About (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one

(3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one (PubChem CID 11350315) has the molecular formula C20H33NO4Si2 and a molecular weight of 407.66 g/mol. Its IUPAC name is (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
PubChem CID11350315
Molecular FormulaC20H33NO4Si2
Molecular Weight407.66 g/mol
Exact Mass407.19
IUPAC Name(3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H33NO4Si2/c1-8-14-21-18(17(25-27(5,6)7)15-23-26(2,3)4)19(20(21)22)24-16-12-10-9-11-13-16/h8-13,17-19H,1,14-15H2,2-7H3/t17-,18+,19-/m1/s1
InChIKeyDQPKJLIILIJMHL-CEXWTWQISA-N
XLogP3.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one (CID 11350315) is (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The InChIKey is DQPKJLIILIJMHL-CEXWTWQISA-N. The full InChI is InChI=1S/C20H33NO4Si2/c1-8-14-21-18(17(25-27(5,6)7)15-23-26(2,3)4)19(20(21)22)24-16-12-10-9-11-13-16/h8-13,17-19H,1,14-15H2,2-7H3/t17-,18+,19-/m1/s1.
What are the key properties of (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
(3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one has a molecular weight of 407.66 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 11350315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).