[1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C13H23NO4Si — CID 89315282

IUPAC[1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESC=C(O[Si](C)(C)C)C12CCC(NC(=O)O)(CC1)CO2
InChIInChI=1S/C13H23NO4Si/c1-10(18-19(2,3)4)13-7-5-12(6-8-13,9-17-13)14-11(15)16/h14H,1,5-9H2,2-4H3,(H,15,16)
InChIKeyIQHTXLNLZQTOLA-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.70
Rot. Bonds4

About [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

[1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 89315282) has the molecular formula C13H23NO4Si and a molecular weight of 285.42 g/mol. Its IUPAC name is [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID89315282
Molecular FormulaC13H23NO4Si
Molecular Weight285.42 g/mol
Exact Mass285.14
IUPAC Name[1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESC=C(O[Si](C)(C)C)C12CCC(NC(=O)O)(CC1)CO2
InChIInChI=1S/C13H23NO4Si/c1-10(18-19(2,3)4)13-7-5-12(6-8-13,9-17-13)14-11(15)16/h14H,1,5-9H2,2-4H3,(H,15,16)
InChIKeyIQHTXLNLZQTOLA-UHFFFAOYSA-N
XLogP2.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 89315282) is [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is C=C(O[Si](C)(C)C)C12CCC(NC(=O)O)(CC1)CO2.
What is the InChIKey of [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is IQHTXLNLZQTOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4Si/c1-10(18-19(2,3)4)13-7-5-12(6-8-13,9-17-13)14-11(15)16/h14H,1,5-9H2,2-4H3,(H,15,16).
What are the key properties of [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 285.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-trimethylsilyloxyethenyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 89315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).