2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate

C11H22O2Si — CID 123921389

IUPAC2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)CC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2)8-9(11)10(12)13-6-7-14(3,4)5/h9H,6-8H2,1-5H3
InChIKeyCTKJPDDAJHSAOO-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.91
Rot. Bonds4

About 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate

2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 123921389) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate
PubChem CID123921389
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)CC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2)8-9(11)10(12)13-6-7-14(3,4)5/h9H,6-8H2,1-5H3
InChIKeyCTKJPDDAJHSAOO-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
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 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate (CID 123921389) is 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate is CC1(C)CC1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is CTKJPDDAJHSAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2)8-9(11)10(12)13-6-7-14(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate?
2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 214.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 123921389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).