[(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate

C23H43NO5Si — CID 10765625

IUPAC[(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESCCCCCC[C@@H](C)OC(=O)CC(=O)CC1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO5Si/c1-9-10-11-12-13-16(2)28-20(26)15-18(25)14-19-21(22(27)24-19)17(3)29-30(7,8)23(4,5)6/h16-17,19,21H,9-15H2,1-8H3,(H,24,27)/t16-,17-,19?,21-/m1/s1
InChIKeyGSEUPEJWKIHWKW-XNTWYNPMSA-N
MW441.69 g/mol
LogP4.76
Rot. Bonds13

About [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate

[(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate (PubChem CID 10765625) has the molecular formula C23H43NO5Si and a molecular weight of 441.69 g/mol. Its IUPAC name is [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate.

Molecular Properties

Compound Name[(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
PubChem CID10765625
Molecular FormulaC23H43NO5Si
Molecular Weight441.69 g/mol
Exact Mass441.29
IUPAC Name[(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESCCCCCC[C@@H](C)OC(=O)CC(=O)CC1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO5Si/c1-9-10-11-12-13-16(2)28-20(26)15-18(25)14-19-21(22(27)24-19)17(3)29-30(7,8)23(4,5)6/h16-17,19,21H,9-15H2,1-8H3,(H,24,27)/t16-,17-,19?,21-/m1/s1
InChIKeyGSEUPEJWKIHWKW-XNTWYNPMSA-N
XLogP4.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.69
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
CID 14395942
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-methylprop-2-enyl)azetidin-2-one
CID 100963871
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(iodomethyl)azetidin-2-one
CID 13073914
methyl (2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carboxylate
CID 13073908
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(3R)-3-methoxy-2-oxo-3-phenylpropyl]azetidin-2-one
CID 10524518
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxobutanoate
CID 57316894
(3S,4S)-4-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 13488756
bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate
CID 15117310
prop-2-enyl (2S,4R)-4-[3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 54186439
4-O-decan-2-yl 1-O-pentan-2-yl butanedioate
CID 91702306

Frequently Asked Questions

What is the IUPAC name of [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The IUPAC name of [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate (CID 10765625) is [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate.
What is the SMILES notation for [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The canonical SMILES for [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate is CCCCCC[C@@H](C)OC(=O)CC(=O)CC1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The InChIKey is GSEUPEJWKIHWKW-XNTWYNPMSA-N. The full InChI is InChI=1S/C23H43NO5Si/c1-9-10-11-12-13-16(2)28-20(26)15-18(25)14-19-21(22(27)24-19)17(3)29-30(7,8)23(4,5)6/h16-17,19,21H,9-15H2,1-8H3,(H,24,27)/t16-,17-,19?,21-/m1/s1.
What are the key properties of [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
[(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate has a molecular weight of 441.69 g/mol, XLogP of 4.76, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-octan-2-yl] 4-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate is sourced from PubChem (CID 10765625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).