1-hydroxy-1-triethoxysilylbut-3-en-2-one

C10H20O5Si — CID 174737779

IUPAC1-hydroxy-1-triethoxysilylbut-3-en-2-one
SMILESC=CC(=O)C(O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C10H20O5Si/c1-5-9(11)10(12)16(13-6-2,14-7-3)15-8-4/h5,10,12H,1,6-8H2,2-4H3
InChIKeyMGDYHKMLOVQYSR-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.69
Rot. Bonds9

About 1-hydroxy-1-triethoxysilylbut-3-en-2-one

1-hydroxy-1-triethoxysilylbut-3-en-2-one (PubChem CID 174737779) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-hydroxy-1-triethoxysilylbut-3-en-2-one.

Molecular Properties

Compound Name1-hydroxy-1-triethoxysilylbut-3-en-2-one
PubChem CID174737779
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-hydroxy-1-triethoxysilylbut-3-en-2-one
SMILESC=CC(=O)C(O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C10H20O5Si/c1-5-9(11)10(12)16(13-6-2,14-7-3)15-8-4/h5,10,12H,1,6-8H2,2-4H3
InChIKeyMGDYHKMLOVQYSR-UHFFFAOYSA-N
XLogP0.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-triethoxysilylhex-1-en-3-one
CID 87180757
4-tripropoxysilylhex-1-en-3-one
CID 175009211
N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
CID 141007708
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
diethoxy(dimethyl)silane;prop-2-enoic acid
CID 87574269
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
CID 141479415
4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one
CID 156790524
4,7-dihydroxyoct-1-en-3-one
CID 174876046
2-triethoxysilylpropanoate
CID 22068871
4-methylhex-1-en-3-one
CID 15724302
1-tri(propan-2-yloxy)silylpropyl prop-2-enoate
CID 87405020

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-triethoxysilylbut-3-en-2-one?
The IUPAC name of 1-hydroxy-1-triethoxysilylbut-3-en-2-one (CID 174737779) is 1-hydroxy-1-triethoxysilylbut-3-en-2-one.
What is the SMILES notation for 1-hydroxy-1-triethoxysilylbut-3-en-2-one?
The canonical SMILES for 1-hydroxy-1-triethoxysilylbut-3-en-2-one is C=CC(=O)C(O)[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-hydroxy-1-triethoxysilylbut-3-en-2-one?
The InChIKey is MGDYHKMLOVQYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-5-9(11)10(12)16(13-6-2,14-7-3)15-8-4/h5,10,12H,1,6-8H2,2-4H3.
What are the key properties of 1-hydroxy-1-triethoxysilylbut-3-en-2-one?
1-hydroxy-1-triethoxysilylbut-3-en-2-one has a molecular weight of 248.35 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-triethoxysilylbut-3-en-2-one is sourced from PubChem (CID 174737779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).