trimethylsilyl heptanoate

C10H22O2Si — CID 529222

IUPACtrimethylsilyl heptanoate
SMILESCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h5-9H2,1-4H3
InChIKeyAMUGRUMFZAKWNM-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.33
Rot. Bonds6

About trimethylsilyl heptanoate

trimethylsilyl heptanoate (PubChem CID 529222) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is trimethylsilyl heptanoate.

Molecular Properties

Compound Nametrimethylsilyl heptanoate
PubChem CID529222
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Nametrimethylsilyl heptanoate
SMILESCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h5-9H2,1-4H3
InChIKeyAMUGRUMFZAKWNM-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.33
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 trimethylsilyl heptanoate?
The IUPAC name of trimethylsilyl heptanoate (CID 529222) is trimethylsilyl heptanoate.
What is the SMILES notation for trimethylsilyl heptanoate?
The canonical SMILES for trimethylsilyl heptanoate is CCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl heptanoate?
The InChIKey is AMUGRUMFZAKWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h5-9H2,1-4H3.
What are the key properties of trimethylsilyl heptanoate?
trimethylsilyl heptanoate has a molecular weight of 202.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl heptanoate is sourced from PubChem (CID 529222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).