triethylsilyl 2-prop-2-enylhexanoate

C15H30O2Si — CID 174788820

IUPACtriethylsilyl 2-prop-2-enylhexanoate
SMILESC=CCC(CCCC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-11-13-14(12-7-2)15(16)17-18(8-3,9-4)10-5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyUBEOCRQTVKGDEZ-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.92
Rot. Bonds10

About triethylsilyl 2-prop-2-enylhexanoate

triethylsilyl 2-prop-2-enylhexanoate (PubChem CID 174788820) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is triethylsilyl 2-prop-2-enylhexanoate.

Molecular Properties

Compound Nametriethylsilyl 2-prop-2-enylhexanoate
PubChem CID174788820
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametriethylsilyl 2-prop-2-enylhexanoate
SMILESC=CCC(CCCC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C15H30O2Si/c1-6-11-13-14(12-7-2)15(16)17-18(8-3,9-4)10-5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyUBEOCRQTVKGDEZ-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.92
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 triethylsilyl 2-prop-2-enylhexanoate?
The IUPAC name of triethylsilyl 2-prop-2-enylhexanoate (CID 174788820) is triethylsilyl 2-prop-2-enylhexanoate.
What is the SMILES notation for triethylsilyl 2-prop-2-enylhexanoate?
The canonical SMILES for triethylsilyl 2-prop-2-enylhexanoate is C=CCC(CCCC)C(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl 2-prop-2-enylhexanoate?
The InChIKey is UBEOCRQTVKGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-11-13-14(12-7-2)15(16)17-18(8-3,9-4)10-5/h7,14H,2,6,8-13H2,1,3-5H3.
What are the key properties of triethylsilyl 2-prop-2-enylhexanoate?
triethylsilyl 2-prop-2-enylhexanoate has a molecular weight of 270.49 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-prop-2-enylhexanoate is sourced from PubChem (CID 174788820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).