oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate

C13H20O5Si — CID 173269824

IUPACoxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate
SMILESC=CC(=O)OCC(C)=C(C)C(=O)O[SiH]1CCCCO1
InChIInChI=1S/C13H20O5Si/c1-4-12(14)16-9-10(2)11(3)13(15)18-19-8-6-5-7-17-19/h4,19H,1,5-9H2,2-3H3
InChIKeyUBPOJXTVKWPJBJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.63
Rot. Bonds5

About oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate

oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate (PubChem CID 173269824) has the molecular formula C13H20O5Si and a molecular weight of 284.38 g/mol. Its IUPAC name is oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate.

Molecular Properties

Compound Nameoxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate
PubChem CID173269824
Molecular FormulaC13H20O5Si
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Nameoxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate
SMILESC=CC(=O)OCC(C)=C(C)C(=O)O[SiH]1CCCCO1
InChIInChI=1S/C13H20O5Si/c1-4-12(14)16-9-10(2)11(3)13(15)18-19-8-6-5-7-17-19/h4,19H,1,5-9H2,2-3H3
InChIKeyUBPOJXTVKWPJBJ-UHFFFAOYSA-N
XLogP1.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141129170
hexakis(hydroxymethyl 2-methylprop-2-enoate);hexakis(hydroxymethyl prop-2-enoate);methane
CID 160775085
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
CID 156783562
sodium;2-ethenyloxasilinane;acetate
CID 174906213
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
[dimethyl(prop-2-enoyloxymethyl)silyl]methyl 2-methylprop-2-enoate
CID 150664135
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
methane;2-oxobut-3-enyl prop-2-enoate
CID 161424995
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944

Frequently Asked Questions

What is the IUPAC name of oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate?
The IUPAC name of oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate (CID 173269824) is oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate.
What is the SMILES notation for oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate?
The canonical SMILES for oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate is C=CC(=O)OCC(C)=C(C)C(=O)O[SiH]1CCCCO1.
What is the InChIKey of oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate?
The InChIKey is UBPOJXTVKWPJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5Si/c1-4-12(14)16-9-10(2)11(3)13(15)18-19-8-6-5-7-17-19/h4,19H,1,5-9H2,2-3H3.
What are the key properties of oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate?
oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate has a molecular weight of 284.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxasilinan-2-yl 2,3-dimethyl-4-prop-2-enoyloxybut-2-enoate is sourced from PubChem (CID 173269824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).