ethyl 2-trimethylsilylheptanoate

C12H26O2Si — CID 14984231

IUPACethyl 2-trimethylsilylheptanoate
SMILESCCCCCC(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-6-8-9-10-11(15(3,4)5)12(13)14-7-2/h11H,6-10H2,1-5H3
InChIKeyZOJNTCVUSJDEAF-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.84
Rot. Bonds7

About ethyl 2-trimethylsilylheptanoate

ethyl 2-trimethylsilylheptanoate (PubChem CID 14984231) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is ethyl 2-trimethylsilylheptanoate.

Molecular Properties

Compound Nameethyl 2-trimethylsilylheptanoate
PubChem CID14984231
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nameethyl 2-trimethylsilylheptanoate
SMILESCCCCCC(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-6-8-9-10-11(15(3,4)5)12(13)14-7-2/h11H,6-10H2,1-5H3
InChIKeyZOJNTCVUSJDEAF-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-trimethylsilylheptanoate?
The IUPAC name of ethyl 2-trimethylsilylheptanoate (CID 14984231) is ethyl 2-trimethylsilylheptanoate.
What is the SMILES notation for ethyl 2-trimethylsilylheptanoate?
The canonical SMILES for ethyl 2-trimethylsilylheptanoate is CCCCCC(C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl 2-trimethylsilylheptanoate?
The InChIKey is ZOJNTCVUSJDEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-6-8-9-10-11(15(3,4)5)12(13)14-7-2/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 2-trimethylsilylheptanoate?
ethyl 2-trimethylsilylheptanoate has a molecular weight of 230.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethylsilylheptanoate is sourced from PubChem (CID 14984231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).