2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate

C14H34O6Si4 — CID 172847333

IUPAC2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C7H22O4Si4.C7H12O2/c1-12-8-13(2,3)10-15(6,7)11-14(4,5)9-12;1-4-5-9-7(8)6(2)3/h12H,1-7H3;2,4-5H2,1,3H3
InChIKeyXPGUANNRAVHMJG-UHFFFAOYSA-N
MW410.76 g/mol
LogP3.54
Rot. Bonds3

About 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate

2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate (PubChem CID 172847333) has the molecular formula C14H34O6Si4 and a molecular weight of 410.76 g/mol. Its IUPAC name is 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate
PubChem CID172847333
Molecular FormulaC14H34O6Si4
Molecular Weight410.76 g/mol
Exact Mass410.14
IUPAC Name2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.C[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C7H22O4Si4.C7H12O2/c1-12-8-13(2,3)10-15(6,7)11-14(4,5)9-12;1-4-5-9-7(8)6(2)3/h12H,1-7H3;2,4-5H2,1,3H3
InChIKeyXPGUANNRAVHMJG-UHFFFAOYSA-N
XLogP3.54
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.76
LogP ≤ 53.54
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

azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
CID 172705109
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
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
dimethoxy(methyl)silane;propyl 2-methylprop-2-enoate
CID 159386430
methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 158389436
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate?
The IUPAC name of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate (CID 172847333) is 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.C[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate?
The InChIKey is XPGUANNRAVHMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H22O4Si4.C7H12O2/c1-12-8-13(2,3)10-15(6,7)11-14(4,5)9-12;1-4-5-9-7(8)6(2)3/h12H,1-7H3;2,4-5H2,1,3H3.
What are the key properties of 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate?
2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate has a molecular weight of 410.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 172847333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).