3-triethylsilylbut-3-enyl benzoate

C17H26O2Si — CID 11254792

IUPAC3-triethylsilylbut-3-enyl benzoate
SMILESC=C(CCOC(=O)c1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C17H26O2Si/c1-5-20(6-2,7-3)15(4)13-14-19-17(18)16-11-9-8-10-12-16/h8-12H,4-7,13-14H2,1-3H3
InChIKeyLYEYMWYKHQSPEN-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.84
Rot. Bonds8

About 3-triethylsilylbut-3-enyl benzoate

3-triethylsilylbut-3-enyl benzoate (PubChem CID 11254792) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-triethylsilylbut-3-enyl benzoate.

Molecular Properties

Compound Name3-triethylsilylbut-3-enyl benzoate
PubChem CID11254792
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name3-triethylsilylbut-3-enyl benzoate
SMILESC=C(CCOC(=O)c1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C17H26O2Si/c1-5-20(6-2,7-3)15(4)13-14-19-17(18)16-11-9-8-10-12-16/h8-12H,4-7,13-14H2,1-3H3
InChIKeyLYEYMWYKHQSPEN-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxobutyl benzoate
CID 10899468
3-benzoyloxypropanoic acid
CID 21263483
2-benzoyloxyethyl benzoate;ethene
CID 67969171
(111C)butyl benzoate
CID 11994383
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
potassium;hexadecyl benzoate;hydride
CID 174392583
2-(3,3-dimethylbut-1-en-2-yloxy)ethyl benzoate
CID 102460321
azane;2-methoxyethyl benzoate
CID 174560204
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
propyl acetate;propyl benzoate
CID 123140515

Frequently Asked Questions

What is the IUPAC name of 3-triethylsilylbut-3-enyl benzoate?
The IUPAC name of 3-triethylsilylbut-3-enyl benzoate (CID 11254792) is 3-triethylsilylbut-3-enyl benzoate.
What is the SMILES notation for 3-triethylsilylbut-3-enyl benzoate?
The canonical SMILES for 3-triethylsilylbut-3-enyl benzoate is C=C(CCOC(=O)c1ccccc1)[Si](CC)(CC)CC.
What is the InChIKey of 3-triethylsilylbut-3-enyl benzoate?
The InChIKey is LYEYMWYKHQSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-5-20(6-2,7-3)15(4)13-14-19-17(18)16-11-9-8-10-12-16/h8-12H,4-7,13-14H2,1-3H3.
What are the key properties of 3-triethylsilylbut-3-enyl benzoate?
3-triethylsilylbut-3-enyl benzoate has a molecular weight of 290.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilylbut-3-enyl benzoate is sourced from PubChem (CID 11254792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).