3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid

C12H22O5Si — CID 173163049

IUPAC3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid
SMILESC[SiH](C)OC1C(C(C)(C)C)CC1(C(=O)O)C(=O)O
InChIInChI=1S/C12H22O5Si/c1-11(2,3)7-6-12(9(13)14,10(15)16)8(7)17-18(4)5/h7-8,18H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyXYXUMWXNNFDMLB-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.58
Rot. Bonds4

About 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid

3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid (PubChem CID 173163049) has the molecular formula C12H22O5Si and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid
PubChem CID173163049
Molecular FormulaC12H22O5Si
Molecular Weight274.39 g/mol
Exact Mass274.12
IUPAC Name3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid
SMILESC[SiH](C)OC1C(C(C)(C)C)CC1(C(=O)O)C(=O)O
InChIInChI=1S/C12H22O5Si/c1-11(2,3)7-6-12(9(13)14,10(15)16)8(7)17-18(4)5/h7-8,18H,6H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyXYXUMWXNNFDMLB-UHFFFAOYSA-N
XLogP1.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid?
The IUPAC name of 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid (CID 173163049) is 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid.
What is the SMILES notation for 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid?
The canonical SMILES for 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid is C[SiH](C)OC1C(C(C)(C)C)CC1(C(=O)O)C(=O)O.
What is the InChIKey of 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid?
The InChIKey is XYXUMWXNNFDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5Si/c1-11(2,3)7-6-12(9(13)14,10(15)16)8(7)17-18(4)5/h7-8,18H,6H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid?
3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid has a molecular weight of 274.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-dimethylsilyloxycyclobutane-1,1-dicarboxylic acid is sourced from PubChem (CID 173163049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).