1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate

C13H24O3Si — CID 70402716

IUPAC1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)[Si]1(C)CCCC(C)O1
InChIInChI=1S/C13H24O3Si/c1-6-12(15-13(14)10(2)3)17(5)9-7-8-11(4)16-17/h11-12H,2,6-9H2,1,3-5H3
InChIKeyYUBHSVRJUYQGFJ-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate

1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate (PubChem CID 70402716) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate
PubChem CID70402716
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)[Si]1(C)CCCC(C)O1
InChIInChI=1S/C13H24O3Si/c1-6-12(15-13(14)10(2)3)17(5)9-7-8-11(4)16-17/h11-12H,2,6-9H2,1,3-5H3
InChIKeyYUBHSVRJUYQGFJ-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.20
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

methyl 2-methylprop-2-enoate;2,2,3,3,6-pentamethyloxadisilinane
CID 174749191
bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate
CID 139823116
butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
CID 23091826
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
CID 173234354
1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174689374
(8-methyl-1,4-dioxocan-2-yl) 2-methylprop-2-enoate
CID 58183602
(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate
CID 157418017
1,2,5-trihydroxypentan-3-yl 2-methylprop-2-enoate
CID 90993225
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
propan-2-yl 2-methylprop-2-enoate
CID 146421311

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate (CID 70402716) is 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)[Si]1(C)CCCC(C)O1.
What is the InChIKey of 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate?
The InChIKey is YUBHSVRJUYQGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-12(15-13(14)10(2)3)17(5)9-7-8-11(4)16-17/h11-12H,2,6-9H2,1,3-5H3.
What are the key properties of 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate?
1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate has a molecular weight of 256.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 70402716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).