1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid

C10H20O3Si — CID 67535348

IUPAC1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1(C(=O)O)CC1
InChIInChI=1S/C10H20O3Si/c1-9(2,3)14(4,5)13-10(6-7-10)8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyAUEIZUUMTPOTKT-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.63
Rot. Bonds3

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

1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid (PubChem CID 67535348) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid
PubChem CID67535348
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1(C(=O)O)CC1
InChIInChI=1S/C10H20O3Si/c1-9(2,3)14(4,5)13-10(6-7-10)8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyAUEIZUUMTPOTKT-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid (CID 67535348) is 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC1(C(=O)O)CC1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid?
The InChIKey is AUEIZUUMTPOTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-9(2,3)14(4,5)13-10(6-7-10)8(11)12/h6-7H2,1-5H3,(H,11,12).
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid?
1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid has a molecular weight of 216.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 67535348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).