trimethylsilylmethyl hexanoate

C10H22O2Si — CID 91696741

IUPACtrimethylsilylmethyl hexanoate
SMILESCCCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-5-6-7-8-10(11)12-9-13(2,3)4/h5-9H2,1-4H3
InChIKeyPXIBFELWYPOUAY-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds6

About trimethylsilylmethyl hexanoate

trimethylsilylmethyl hexanoate (PubChem CID 91696741) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is trimethylsilylmethyl hexanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl hexanoate
PubChem CID91696741
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Nametrimethylsilylmethyl hexanoate
SMILESCCCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-5-6-7-8-10(11)12-9-13(2,3)4/h5-9H2,1-4H3
InChIKeyPXIBFELWYPOUAY-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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(trimethylsilyl) adipate
CID 87457
Hexanoic acid, trimethylsilyl ester
CID 518907
Butyl triethylsilyl acetate
CID 125473299
Methyl 6-methoxyhexanoate
CID 357793
Trimethylsilyl methyl laurate
CID 91723168
(Trimethylsilyl)methyl pentanoate
CID 91696722
Methyl 4-(trimethylsilylmethyl)hexanoate
CID 14712721
Ethyl 2-trimethylsilylheptanoate
CID 14984231
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
[Fluoro(dimethyl)silyl] hexanoate
CID 173939897
Hexanoic acid, DMTBS
CID 528099

Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl hexanoate?
The IUPAC name of trimethylsilylmethyl hexanoate (CID 91696741) is trimethylsilylmethyl hexanoate.
What is the SMILES notation for trimethylsilylmethyl hexanoate?
The canonical SMILES for trimethylsilylmethyl hexanoate is CCCCCC(=O)OC[Si](C)(C)C.
What is the InChIKey of trimethylsilylmethyl hexanoate?
The InChIKey is PXIBFELWYPOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-6-7-8-10(11)12-9-13(2,3)4/h5-9H2,1-4H3.
What are the key properties of trimethylsilylmethyl hexanoate?
trimethylsilylmethyl hexanoate has a molecular weight of 202.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl hexanoate is sourced from PubChem (CID 91696741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).