2-trimethylsilylethyl heptanoate

C12H26O2Si — CID 141105261

IUPAC2-trimethylsilylethyl heptanoate
SMILESCCCCCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-5-6-7-8-9-12(13)14-10-11-15(2,3)4/h5-11H2,1-4H3
InChIKeyGSFSHAFWVOJGDX-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.84
Rot. Bonds8

About 2-trimethylsilylethyl heptanoate

2-trimethylsilylethyl heptanoate (PubChem CID 141105261) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-trimethylsilylethyl heptanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl heptanoate
PubChem CID141105261
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name2-trimethylsilylethyl heptanoate
SMILESCCCCCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-5-6-7-8-9-12(13)14-10-11-15(2,3)4/h5-11H2,1-4H3
InChIKeyGSFSHAFWVOJGDX-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
dinonyl decanedioate
CID 20075
7-O-hexadecyl 1-O-octyl heptanedioate
CID 91718441
docosyl docosanoate;docosyl octadecanoate
CID 175861310
dodecyl undecanoate
CID 56935973
tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate
CID 175691785
dioctyl dodecanedioate
CID 3016341
heptadecyl hentriacontanoate
CID 168953452
octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl heptanoate?
The IUPAC name of 2-trimethylsilylethyl heptanoate (CID 141105261) is 2-trimethylsilylethyl heptanoate.
What is the SMILES notation for 2-trimethylsilylethyl heptanoate?
The canonical SMILES for 2-trimethylsilylethyl heptanoate is CCCCCCC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl heptanoate?
The InChIKey is GSFSHAFWVOJGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-6-7-8-9-12(13)14-10-11-15(2,3)4/h5-11H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl heptanoate?
2-trimethylsilylethyl heptanoate has a molecular weight of 230.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl heptanoate is sourced from PubChem (CID 141105261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).