3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid

C12H24O3Si — CID 140678736

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(C(=O)O)C1CC1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-8-10(11(13)14)9-6-7-9/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeySGHPOKSUQGNYBQ-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.12
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid (PubChem CID 140678736) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid
PubChem CID140678736
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(C(=O)O)C1CC1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-8-10(11(13)14)9-6-7-9/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeySGHPOKSUQGNYBQ-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.12
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 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid (CID 140678736) is 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid is CC(C)(C)[Si](C)(C)OCC(C(=O)O)C1CC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid?
The InChIKey is SGHPOKSUQGNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-8-10(11(13)14)9-6-7-9/h9-10H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid is sourced from PubChem (CID 140678736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).