methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate

C13H24O3Si — CID 12647178

IUPACmethyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate
SMILESCOC(=O)C1C(O[Si](C)(C)C)C12CCCCC2
InChIInChI=1S/C13H24O3Si/c1-15-12(14)10-11(16-17(2,3)4)13(10)8-6-5-7-9-13/h10-11H,5-9H2,1-4H3
InChIKeyVFSUANFRMDRJIT-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.96
Rot. Bonds3

About methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate

methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate (PubChem CID 12647178) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate
PubChem CID12647178
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate
SMILESCOC(=O)C1C(O[Si](C)(C)C)C12CCCCC2
InChIInChI=1S/C13H24O3Si/c1-15-12(14)10-11(16-17(2,3)4)13(10)8-6-5-7-9-13/h10-11H,5-9H2,1-4H3
InChIKeyVFSUANFRMDRJIT-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate?
The IUPAC name of methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate (CID 12647178) is methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate.
What is the SMILES notation for methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate?
The canonical SMILES for methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate is COC(=O)C1C(O[Si](C)(C)C)C12CCCCC2.
What is the InChIKey of methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate?
The InChIKey is VFSUANFRMDRJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-15-12(14)10-11(16-17(2,3)4)13(10)8-6-5-7-9-13/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate?
methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate has a molecular weight of 256.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxyspiro[2.5]octane-1-carboxylate is sourced from PubChem (CID 12647178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).