1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid

C9H21NO3Si — CID 175475346

IUPAC1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
SMILESCC(NC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H21NO3Si/c1-7(10-8(11)12)13-14(5,6)9(2,3)4/h7,10H,1-6H3,(H,11,12)
InChIKeyXXXMCNWYXDSTON-UHFFFAOYSA-N
MW219.36 g/mol
LogP2.62
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid

1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid (PubChem CID 175475346) has the molecular formula C9H21NO3Si and a molecular weight of 219.36 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
PubChem CID175475346
Molecular FormulaC9H21NO3Si
Molecular Weight219.36 g/mol
Exact Mass219.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
SMILESCC(NC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H21NO3Si/c1-7(10-8(11)12)13-14(5,6)9(2,3)4/h7,10H,1-6H3,(H,11,12)
InChIKeyXXXMCNWYXDSTON-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid (CID 175475346) is 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid is CC(NC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid?
The InChIKey is XXXMCNWYXDSTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3Si/c1-7(10-8(11)12)13-14(5,6)9(2,3)4/h7,10H,1-6H3,(H,11,12).
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid?
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid has a molecular weight of 219.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid is sourced from PubChem (CID 175475346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).