3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid

C13H24O3Si — CID 131801177

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C13H24O3Si/c1-11(2,3)17(4,5)16-9-12-6-13(7-12,8-12)10(14)15/h6-9H2,1-5H3,(H,14,15)
InChIKeyFFNHMYWKBFDEJK-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.26
Rot. Bonds4

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 131801177) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID131801177
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C13H24O3Si/c1-11(2,3)17(4,5)16-9-12-6-13(7-12,8-12)10(14)15/h6-9H2,1-5H3,(H,14,15)
InChIKeyFFNHMYWKBFDEJK-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.26
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]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 131801177) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid is CC(C)(C)[Si](C)(C)OCC12CC(C(=O)O)(C1)C2.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is FFNHMYWKBFDEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-11(2,3)17(4,5)16-9-12-6-13(7-12,8-12)10(14)15/h6-9H2,1-5H3,(H,14,15).
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 256.42 g/mol, XLogP of 3.26, 4 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]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 131801177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).