(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one

C14H25NO2Si — CID 134918415

IUPAC(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one
SMILESC#CCC1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25NO2Si/c1-8-9-11-12(13(16)15-11)10(2)17-18(6,7)14(3,4)5/h1,10-12H,9H2,2-7H3,(H,15,16)/t10-,11?,12-/m1/s1
InChIKeyWTNFLXOEACDPPW-IGBJHFKCSA-N
MW267.44 g/mol
LogP2.53
Rot. Bonds4

About (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one

(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one (PubChem CID 134918415) has the molecular formula C14H25NO2Si and a molecular weight of 267.44 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one
PubChem CID134918415
Molecular FormulaC14H25NO2Si
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one
SMILESC#CCC1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25NO2Si/c1-8-9-11-12(13(16)15-11)10(2)17-18(6,7)14(3,4)5/h1,10-12H,9H2,2-7H3,(H,15,16)/t10-,11?,12-/m1/s1
InChIKeyWTNFLXOEACDPPW-IGBJHFKCSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one?
The IUPAC name of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one (CID 134918415) is (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one is C#CCC1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one?
The InChIKey is WTNFLXOEACDPPW-IGBJHFKCSA-N. The full InChI is InChI=1S/C14H25NO2Si/c1-8-9-11-12(13(16)15-11)10(2)17-18(6,7)14(3,4)5/h1,10-12H,9H2,2-7H3,(H,15,16)/t10-,11?,12-/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one?
(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one has a molecular weight of 267.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one is sourced from PubChem (CID 134918415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).