2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate

C11H22O4Si — CID 154731555

IUPAC2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OCC(C(=O)OCC[Si](C)(C)C)O1
InChIInChI=1S/C11H22O4Si/c1-11(2)14-8-9(15-11)10(12)13-6-7-16(3,4)5/h9H,6-8H2,1-5H3
InChIKeyAEIJUGCYAMZGAO-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.02
Rot. Bonds4

About 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate

2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 154731555) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID154731555
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OCC(C(=O)OCC[Si](C)(C)C)O1
InChIInChI=1S/C11H22O4Si/c1-11(2)14-8-9(15-11)10(12)13-6-7-16(3,4)5/h9H,6-8H2,1-5H3
InChIKeyAEIJUGCYAMZGAO-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 13659538
methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
Methyl 3,4-O-isopropylidene-L-threonate, TMS derivative
CID 91701873
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11033068
ethyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 15598219
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 135021288
methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10335211
[tert-butyl(dimethyl)silyl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 21627334
Methyl 3,4-O-isopropylidene-L-threonate, TBDMS derivative
CID 91701870
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11265430
butyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 14530196
Ethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 15598218

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 154731555) is 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate is CC1(C)OCC(C(=O)OCC[Si](C)(C)C)O1.
What is the InChIKey of 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is AEIJUGCYAMZGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-11(2)14-8-9(15-11)10(12)13-6-7-16(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate?
2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 246.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 154731555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).