trimethylsilyl pentadecanoate

C18H38O2Si — CID 523679

IUPACtrimethylsilyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-21(2,3)4/h5-17H2,1-4H3
InChIKeySHDTWSQDHLKGEO-UHFFFAOYSA-N
MW314.59 g/mol
LogP6.46
Rot. Bonds14

About trimethylsilyl pentadecanoate

trimethylsilyl pentadecanoate (PubChem CID 523679) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is trimethylsilyl pentadecanoate.

Molecular Properties

Compound Nametrimethylsilyl pentadecanoate
PubChem CID523679
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Nametrimethylsilyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C18H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-21(2,3)4/h5-17H2,1-4H3
InChIKeySHDTWSQDHLKGEO-UHFFFAOYSA-N
XLogP6.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.46
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 pentadecanoate?
The IUPAC name of trimethylsilyl pentadecanoate (CID 523679) is trimethylsilyl pentadecanoate.
What is the SMILES notation for trimethylsilyl pentadecanoate?
The canonical SMILES for trimethylsilyl pentadecanoate is CCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl pentadecanoate?
The InChIKey is SHDTWSQDHLKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-21(2,3)4/h5-17H2,1-4H3.
What are the key properties of trimethylsilyl pentadecanoate?
trimethylsilyl pentadecanoate has a molecular weight of 314.59 g/mol, XLogP of 6.46, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl pentadecanoate is sourced from PubChem (CID 523679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).