4-triethoxysilylhex-1-en-3-one

C12H24O4Si — CID 87180757

IUPAC4-triethoxysilylhex-1-en-3-one
SMILESC=CC(=O)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-11(13)12(7-2)17(14-8-3,15-9-4)16-10-5/h6,12H,1,7-10H2,2-5H3
InChIKeyXUPWTYGPQODJHX-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.57
Rot. Bonds10

About 4-triethoxysilylhex-1-en-3-one

4-triethoxysilylhex-1-en-3-one (PubChem CID 87180757) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-triethoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name4-triethoxysilylhex-1-en-3-one
PubChem CID87180757
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name4-triethoxysilylhex-1-en-3-one
SMILESC=CC(=O)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-11(13)12(7-2)17(14-8-3,15-9-4)16-10-5/h6,12H,1,7-10H2,2-5H3
InChIKeyXUPWTYGPQODJHX-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-tripropoxysilylhex-1-en-3-one
CID 175009211
1-hydroxy-1-triethoxysilylbut-3-en-2-one
CID 174737779
2-methylidene-3-triethoxysilylpentanamide
CID 87348012
2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid
CID 73414943
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
4-methylhex-1-en-3-one
CID 15724302
diethoxy(dimethyl)silane;prop-2-enoic acid
CID 87574269
ethenyl(triethoxy)silane;platinum
CID 159730516
sodium;ethenyl(triethoxy)silane;hydride
CID 173302645
1-O-ethyl 3-O-prop-2-enyl 2-ethylpropanedioate
CID 57172594
triethoxy(1-prop-2-enoxypropyl)silane
CID 18672771
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688

Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylhex-1-en-3-one?
The IUPAC name of 4-triethoxysilylhex-1-en-3-one (CID 87180757) is 4-triethoxysilylhex-1-en-3-one.
What is the SMILES notation for 4-triethoxysilylhex-1-en-3-one?
The canonical SMILES for 4-triethoxysilylhex-1-en-3-one is C=CC(=O)C(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylhex-1-en-3-one?
The InChIKey is XUPWTYGPQODJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-6-11(13)12(7-2)17(14-8-3,15-9-4)16-10-5/h6,12H,1,7-10H2,2-5H3.
What are the key properties of 4-triethoxysilylhex-1-en-3-one?
4-triethoxysilylhex-1-en-3-one has a molecular weight of 260.41 g/mol, XLogP of 2.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylhex-1-en-3-one is sourced from PubChem (CID 87180757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).