(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one

C21H39NOSi3 — CID 10716280

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C21H39NOSi3/c1-21(2,3)26(10,11)22-19(15-13-17-25(7,8)9)18(20(22)23)14-12-16-24(4,5)6/h18-19H,14-15H2,1-11H3/t18-,19-/m0/s1
InChIKeyNUMDQMQVOAJAQO-OALUTQOASA-N
MW405.81 g/mol
LogP5.36
Rot. Bonds3

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one (PubChem CID 10716280) has the molecular formula C21H39NOSi3 and a molecular weight of 405.81 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one
PubChem CID10716280
Molecular FormulaC21H39NOSi3
Molecular Weight405.81 g/mol
Exact Mass405.23
IUPAC Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C21H39NOSi3/c1-21(2,3)26(10,11)22-19(15-13-17-25(7,8)9)18(20(22)23)14-12-16-24(4,5)6/h18-19H,14-15H2,1-11H3/t18-,19-/m0/s1
InChIKeyNUMDQMQVOAJAQO-OALUTQOASA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.81
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-Butyl(dimethyl)silyl]-4-(prop-2-yn-1-yl)azetidin-2-one
CID 13305369
(1S,5Z,10S)-11-[tert-butyl(dimethyl)silyl]-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one
CID 10589234
3-Acetyl-1-[tert-butyl(dimethyl)silyl]-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 20034776
trans-3-Acetyl-1-(tert-butyldimethylsilyl)-4-trimethylsilylethynyl-2-azetidinone
CID 53923800
(3S,4S)-3-acetyl-1-(tert-butyldimethylsilyl)-4-trimethylsilylethynyl-2-azetidinone
CID 53923801
1-[Tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one
CID 58897841
(4R)-1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one
CID 59458665
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(4-hydroxybut-2-ynyl)azetidin-2-one
CID 10543777
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one
CID 10682860
4-[(3S,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-(4-oxobut-2-ynyl)azetidin-3-yl]but-2-ynal
CID 10710616
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one
CID 10738381
(3S,4S)-3,4-bis(4-bromobut-2-ynyl)-1-[tert-butyl(dimethyl)silyl]azetidin-2-one
CID 10765821

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one (CID 10716280) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one is CC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CC#C[Si](C)(C)C)[C@@H]1CC#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
The InChIKey is NUMDQMQVOAJAQO-OALUTQOASA-N. The full InChI is InChI=1S/C21H39NOSi3/c1-21(2,3)26(10,11)22-19(15-13-17-25(7,8)9)18(20(22)23)14-12-16-24(4,5)6/h18-19H,14-15H2,1-11H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one has a molecular weight of 405.81 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(3-trimethylsilylprop-2-ynyl)azetidin-2-one is sourced from PubChem (CID 10716280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).