ethyl 6-trimethylsilyloxyheptanoate

C12H26O3Si — CID 552372

IUPACethyl 6-trimethylsilyloxyheptanoate
SMILESCCOC(=O)CCCCC(C)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si/c1-6-14-12(13)10-8-7-9-11(2)15-16(3,4)5/h11H,6-10H2,1-5H3
InChIKeyLBXVJWLBCNGTMY-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.35
Rot. Bonds8

About ethyl 6-trimethylsilyloxyheptanoate

ethyl 6-trimethylsilyloxyheptanoate (PubChem CID 552372) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is ethyl 6-trimethylsilyloxyheptanoate.

Molecular Properties

Compound Nameethyl 6-trimethylsilyloxyheptanoate
PubChem CID552372
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nameethyl 6-trimethylsilyloxyheptanoate
SMILESCCOC(=O)CCCCC(C)O[Si](C)(C)C
InChIInChI=1S/C12H26O3Si/c1-6-14-12(13)10-8-7-9-11(2)15-16(3,4)5/h11H,6-10H2,1-5H3
InChIKeyLBXVJWLBCNGTMY-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-trimethylsilyloxyheptanoate?
The IUPAC name of ethyl 6-trimethylsilyloxyheptanoate (CID 552372) is ethyl 6-trimethylsilyloxyheptanoate.
What is the SMILES notation for ethyl 6-trimethylsilyloxyheptanoate?
The canonical SMILES for ethyl 6-trimethylsilyloxyheptanoate is CCOC(=O)CCCCC(C)O[Si](C)(C)C.
What is the InChIKey of ethyl 6-trimethylsilyloxyheptanoate?
The InChIKey is LBXVJWLBCNGTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-6-14-12(13)10-8-7-9-11(2)15-16(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 6-trimethylsilyloxyheptanoate?
ethyl 6-trimethylsilyloxyheptanoate has a molecular weight of 246.42 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-trimethylsilyloxyheptanoate is sourced from PubChem (CID 552372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).