3-(trimethylsilylmethyl)oxolane-3-carboxylic acid

C9H18O3Si — CID 106322960

IUPAC3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
SMILESC[Si](C)(C)CC1(C(=O)O)CCOC1
InChIInChI=1S/C9H18O3Si/c1-13(2,3)7-9(8(10)11)4-5-12-6-9/h4-7H2,1-3H3,(H,10,11)
InChIKeyVBKMVSMIKKDRKR-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.82
Rot. Bonds3

About 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid

3-(trimethylsilylmethyl)oxolane-3-carboxylic acid (PubChem CID 106322960) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
PubChem CID106322960
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
SMILESC[Si](C)(C)CC1(C(=O)O)CCOC1
InChIInChI=1S/C9H18O3Si/c1-13(2,3)7-9(8(10)11)4-5-12-6-9/h4-7H2,1-3H3,(H,10,11)
InChIKeyVBKMVSMIKKDRKR-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyloxolane-3-carboxylic acid
CID 62740785
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 175513547
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
CID 114473272
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
CID 165463327
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 79183754
3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
CID 62270868
3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolane-3-carboxylic acid
CID 62270699
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963

Frequently Asked Questions

What is the IUPAC name of 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid (CID 106322960) is 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid is C[Si](C)(C)CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
The InChIKey is VBKMVSMIKKDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-13(2,3)7-9(8(10)11)4-5-12-6-9/h4-7H2,1-3H3,(H,10,11).
What are the key properties of 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid?
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid has a molecular weight of 202.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethylsilylmethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 106322960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).