3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one

C22H41NO4Si — CID 101108344

IUPAC3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC(CCCCCCC/C=C\C(=O)N1CCOC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41NO4Si/c1-7-19(27-28(5,6)22(2,3)4)15-13-11-9-8-10-12-14-16-20(24)23-17-18-26-21(23)25/h14,16,19H,7-13,15,17-18H2,1-6H3/b16-14-
InChIKeyMWGHDHQFFKHAHR-PEZBUJJGSA-N
MW411.66 g/mol
LogP6.05
Rot. Bonds12

About 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one

3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 101108344) has the molecular formula C22H41NO4Si and a molecular weight of 411.66 g/mol. Its IUPAC name is 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID101108344
Molecular FormulaC22H41NO4Si
Molecular Weight411.66 g/mol
Exact Mass411.28
IUPAC Name3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one
SMILESCCC(CCCCCCC/C=C\C(=O)N1CCOC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41NO4Si/c1-7-19(27-28(5,6)22(2,3)4)15-13-11-9-8-10-12-14-16-20(24)23-17-18-26-21(23)25/h14,16,19H,7-13,15,17-18H2,1-6H3/b16-14-
InChIKeyMWGHDHQFFKHAHR-PEZBUJJGSA-N
XLogP6.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.66
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-9-amino-7-ethoxynon-2-enoyl]-1,3-oxazolidin-2-one
CID 138547145
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
3-[(E)-5-(2-ethyloxiran-2-yl)pent-2-enoyl]-1,3-oxazolidin-2-one
CID 102421356
[(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enyl] prop-2-enoate
CID 174059908
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
ethyl (2E,4E,11R)-11-[tert-butyl(dimethyl)silyl]oxydodeca-2,4-dienoate
CID 25241738
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
3-[(E)-4,4,4-trifluorobut-2-enoyl]-1,3-oxazolidin-2-one
CID 45140680
[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxononadec-5-en-3-yl]carbamic acid
CID 173107970
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798
(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 99772264

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one (CID 101108344) is 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one is CCC(CCCCCCC/C=C\C(=O)N1CCOC1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is MWGHDHQFFKHAHR-PEZBUJJGSA-N. The full InChI is InChI=1S/C22H41NO4Si/c1-7-19(27-28(5,6)22(2,3)4)15-13-11-9-8-10-12-14-16-20(24)23-17-18-26-21(23)25/h14,16,19H,7-13,15,17-18H2,1-6H3/b16-14-.
What are the key properties of 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one?
3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 411.66 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-11-[tert-butyl(dimethyl)silyl]oxytridec-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101108344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).