3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate

C15H30O3Si2 — CID 70232650

IUPAC3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C15H30O3Si2/c1-13(2)14(16)17-10-8-11-20(7)12-9-15(3,4)18-19(20,5)6/h1,8-12H2,2-7H3
InChIKeyCCXUAKUHYCZQBY-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.06
Rot. Bonds5

About 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate

3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate (PubChem CID 70232650) has the molecular formula C15H30O3Si2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate
PubChem CID70232650
Molecular FormulaC15H30O3Si2
Molecular Weight314.57 g/mol
Exact Mass314.17
IUPAC Name3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si]1(C)CCC(C)(C)O[Si]1(C)C
InChIInChI=1S/C15H30O3Si2/c1-13(2)14(16)17-10-8-11-20(7)12-9-15(3,4)18-19(20,5)6/h1,8-12H2,2-7H3
InChIKeyCCXUAKUHYCZQBY-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate
CID 67882288
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate
CID 70507135
3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl 2-methylprop-2-enoate
CID 22590275
3-[2,4,6,8,10-pentamethyl-4,6,8,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propyl 2-methylprop-2-enoate
CID 20588104
(2,2,3,3,6-pentamethyloxadisilinan-6-yl)methyl 2-methylprop-2-enoate
CID 66887567
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[3,7,10-trihydroxy-1,5,7,10-tetrakis[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6,8,9,11-hexaoxa-1,3,5,7,10-pentasilabicyclo[3.3.3]undecan-3-yl]propyl 2-methylprop-2-enoate
CID 101340901
3-(2-methoxy-4,4,6-trimethyl-1,3,2-dioxasilinan-2-yl)propyl 2-methylprop-2-enoate
CID 67449142
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butyl 2-methylprop-2-enoate
CID 151722672
butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
CID 23091826
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate (CID 70232650) is 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si]1(C)CCC(C)(C)O[Si]1(C)C.
What is the InChIKey of 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate?
The InChIKey is CCXUAKUHYCZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si2/c1-13(2)14(16)17-10-8-11-20(7)12-9-15(3,4)18-19(20,5)6/h1,8-12H2,2-7H3.
What are the key properties of 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate?
3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate has a molecular weight of 314.57 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 70232650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).