1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one

C10H20O4Si — CID 154288993

IUPAC1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
SMILESC=CC(=O)CO[Si](CCCC)(OC)OC
InChIInChI=1S/C10H20O4Si/c1-5-7-8-15(12-3,13-4)14-9-10(11)6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeyGFUGCEVIZRGDGS-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.79
Rot. Bonds9

About 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one

1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one (PubChem CID 154288993) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one.

Molecular Properties

Compound Name1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
PubChem CID154288993
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
SMILESC=CC(=O)CO[Si](CCCC)(OC)OC
InChIInChI=1S/C10H20O4Si/c1-5-7-8-15(12-3,13-4)14-9-10(11)6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeyGFUGCEVIZRGDGS-UHFFFAOYSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.79
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

1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
CID 175561104
[butyl(dimethoxy)silyl]oxymethyl propanoate
CID 140963360
1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one
CID 141238432
heptyl-dimethoxy-prop-2-enoxysilane
CID 141340413
butoxy-butyl-dimethoxysilane
CID 139714527
[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263
[dimethoxy(propyl)silyl]oxymethyl prop-2-enoate
CID 87123617
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
CID 158770518
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
butyl-methoxy-dipropoxysilane
CID 18672915
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one?
The IUPAC name of 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one (CID 154288993) is 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one.
What is the SMILES notation for 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one?
The canonical SMILES for 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one is C=CC(=O)CO[Si](CCCC)(OC)OC.
What is the InChIKey of 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one?
The InChIKey is GFUGCEVIZRGDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-5-7-8-15(12-3,13-4)14-9-10(11)6-2/h6H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one?
1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one has a molecular weight of 232.35 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one is sourced from PubChem (CID 154288993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).