(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate

C11H26O6Si4 — CID 69400493

IUPAC(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C11H26O6Si4/c1-10(2)11(12)13-21(9)16-19(5,6)14-18(3,4)15-20(7,8)17-21/h1H2,2-9H3
InChIKeyBRVHFZAELSNPEF-UHFFFAOYSA-N
MW366.67 g/mol
LogP2.86
Rot. Bonds2

About (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate

(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate (PubChem CID 69400493) has the molecular formula C11H26O6Si4 and a molecular weight of 366.67 g/mol. Its IUPAC name is (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate
PubChem CID69400493
Molecular FormulaC11H26O6Si4
Molecular Weight366.67 g/mol
Exact Mass366.08
IUPAC Name(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C11H26O6Si4/c1-10(2)11(12)13-21(9)16-19(5,6)14-18(3,4)15-20(7,8)17-21/h1H2,2-9H3
InChIKeyBRVHFZAELSNPEF-UHFFFAOYSA-N
XLogP2.86
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.67
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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
2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate
CID 172847333
2-[2-[2-[2-[2-[2-[2-[2-[3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 123879667
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate
CID 18967232
ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate
CID 140900162
[3-[3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59558928
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
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
CID 519600
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[hydroxy(methyl)silyl] 2-methylprop-2-enoate
CID 173415248

Frequently Asked Questions

What is the IUPAC name of (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate (CID 69400493) is (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate?
The InChIKey is BRVHFZAELSNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O6Si4/c1-10(2)11(12)13-21(9)16-19(5,6)14-18(3,4)15-20(7,8)17-21/h1H2,2-9H3.
What are the key properties of (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate?
(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate has a molecular weight of 366.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 69400493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).