2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

C14H26O3Si — CID 90925989

IUPAC2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC[Si](C)(C)C)C(O2)C1C
InChIInChI=1S/C14H26O3Si/c1-9-10(2)13-11(8-12(9)17-13)14(15)16-6-7-18(3,4)5/h9-13H,6-8H2,1-5H3
InChIKeyVMLUMIJQMTZEJT-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.93
Rot. Bonds4

About 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 90925989) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID90925989
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC[Si](C)(C)C)C(O2)C1C
InChIInChI=1S/C14H26O3Si/c1-9-10(2)13-11(8-12(9)17-13)14(15)16-6-7-18(3,4)5/h9-13H,6-8H2,1-5H3
InChIKeyVMLUMIJQMTZEJT-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid
CID 70182808
2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 161025451
2-chloroethyl (1R,2S,4R,5S,6R)-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate
CID 44518403
diundecyl 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 86223918
4-O-[13-(4-butoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxytridecyl] 3-O-butyl 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 101310720
4-O-[15-(4-dodecoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxypentadecyl] 3-O-dodecyl 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 101310748
4-O-[8-(4-undecoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyoctyl] 3-O-undecyl 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 101310677
4-O-[4-(4-nonoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxybutyl] 3-O-nonyl 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 101310635
2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate
CID 59599392
bis(3,5,5-trimethylhexyl) 2-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 139816928
2-trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 59001147
2-trimethylsilylethyl (2S)-pyrrolidine-2-carboxylate
CID 15338392

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate (CID 90925989) is 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)OCC[Si](C)(C)C)C(O2)C1C.
What is the InChIKey of 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is VMLUMIJQMTZEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-9-10(2)13-11(8-12(9)17-13)14(15)16-6-7-18(3,4)5/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 270.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 90925989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).