1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one

C8H16O3Si — CID 123381217

IUPAC1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)C[SiH](OC)OCC
InChIInChI=1S/C8H16O3Si/c1-5-11-12(10-4)6-8(9)7(2)3/h12H,2,5-6H2,1,3-4H3
InChIKeyHYTSHUQFEYUZOY-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.03
Rot. Bonds6

About 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one

1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one (PubChem CID 123381217) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one
PubChem CID123381217
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one
SMILESC=C(C)C(=O)C[SiH](OC)OCC
InChIInChI=1S/C8H16O3Si/c1-5-11-12(10-4)6-8(9)7(2)3/h12H,2,5-6H2,1,3-4H3
InChIKeyHYTSHUQFEYUZOY-UHFFFAOYSA-N
XLogP1.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl(dimethoxy)silane;propyl 2-methylprop-2-enoate
CID 158202415
methyl 2-methylprop-2-enoate;2-methylpent-1-en-3-one
CID 158562898
methane;1-methoxy-3-methylbut-3-en-2-one
CID 159886470
3-[ethoxy(silyloxy)silyl]propyl 2-methylprop-2-enoate
CID 173224695
CID 167431363
CID 167431363
1-diethoxysilylpent-3-en-2-one
CID 173375801
3-methyl-1-trimethoxysilylbut-3-en-2-one
CID 139685268
benzene;bis(2-methylpent-1-en-3-one)
CID 160638485
ethyl 2-methylprop-2-enoate
CID 130475774
N-(4-dimethoxysilylbutyl)-2-methylprop-2-enamide
CID 173192018
ethyl-methylidene-(2-methylprop-2-enoyl)azanium
CID 20705507
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one?
The IUPAC name of 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one (CID 123381217) is 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one.
What is the SMILES notation for 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one?
The canonical SMILES for 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one is C=C(C)C(=O)C[SiH](OC)OCC.
What is the InChIKey of 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one?
The InChIKey is HYTSHUQFEYUZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-5-11-12(10-4)6-8(9)7(2)3/h12H,2,5-6H2,1,3-4H3.
What are the key properties of 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one?
1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one has a molecular weight of 188.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one is sourced from PubChem (CID 123381217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).