trimethylsilyl 2-prop-1-enylhexanoate

C12H24O2Si — CID 141015605

IUPACtrimethylsilyl 2-prop-1-enylhexanoate
SMILESCC=CC(CCCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-8-10-11(9-7-2)12(13)14-15(3,4)5/h7,9,11H,6,8,10H2,1-5H3
InChIKeyOIHGRJGADLZAQV-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.75
Rot. Bonds6

About trimethylsilyl 2-prop-1-enylhexanoate

trimethylsilyl 2-prop-1-enylhexanoate (PubChem CID 141015605) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trimethylsilyl 2-prop-1-enylhexanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-prop-1-enylhexanoate
PubChem CID141015605
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrimethylsilyl 2-prop-1-enylhexanoate
SMILESCC=CC(CCCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-8-10-11(9-7-2)12(13)14-15(3,4)5/h7,9,11H,6,8,10H2,1-5H3
InChIKeyOIHGRJGADLZAQV-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-prop-1-enylhexanoate?
The IUPAC name of trimethylsilyl 2-prop-1-enylhexanoate (CID 141015605) is trimethylsilyl 2-prop-1-enylhexanoate.
What is the SMILES notation for trimethylsilyl 2-prop-1-enylhexanoate?
The canonical SMILES for trimethylsilyl 2-prop-1-enylhexanoate is CC=CC(CCCC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-prop-1-enylhexanoate?
The InChIKey is OIHGRJGADLZAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-6-8-10-11(9-7-2)12(13)14-15(3,4)5/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of trimethylsilyl 2-prop-1-enylhexanoate?
trimethylsilyl 2-prop-1-enylhexanoate has a molecular weight of 228.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-prop-1-enylhexanoate is sourced from PubChem (CID 141015605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).