3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide

C15H27NO3Si — CID 12871781

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)N=O)C1=CCCCC1
InChIInChI=1S/C15H27NO3Si/c1-15(2,3)20(4,5)19-13(11-14(17)16-18)12-9-7-6-8-10-12/h9,13H,6-8,10-11H2,1-5H3
InChIKeyDXHWMHBSKCOAEC-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.56
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide

3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide (PubChem CID 12871781) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide
PubChem CID12871781
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)N=O)C1=CCCCC1
InChIInChI=1S/C15H27NO3Si/c1-15(2,3)20(4,5)19-13(11-14(17)16-18)12-9-7-6-8-10-12/h9,13H,6-8,10-11H2,1-5H3
InChIKeyDXHWMHBSKCOAEC-UHFFFAOYSA-N
XLogP4.56
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
CID 123455813
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
(3S)-3-(cyclohexen-1-yl)-1-trimethylsilylpent-4-en-1-one
CID 15936825
[(R)-cyclohexen-1-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate
CID 10892321
3-(cycloocten-1-yl)butanoic acid
CID 154246117
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
tert-butyl-[1-(cyclohexen-1-yl)ethenoxy]-dimethylsilane
CID 10955633
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide (CID 12871781) is 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide is CC(C)(C)[Si](C)(C)OC(CC(=O)N=O)C1=CCCCC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide?
The InChIKey is DXHWMHBSKCOAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3Si/c1-15(2,3)20(4,5)19-13(11-14(17)16-18)12-9-7-6-8-10-12/h9,13H,6-8,10-11H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide?
3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide has a molecular weight of 297.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-3-(cyclohexen-1-yl)-N-oxopropanamide is sourced from PubChem (CID 12871781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).