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

C15H34O6Si4 — CID 151722672

IUPAC4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C15H34O6Si4/c1-14(2)15(16)17-12-10-11-13-25(9)20-23(5,6)18-22(3,4)19-24(7,8)21-25/h1,10-13H2,2-9H3
InChIKeyRIXILMQBMXMSIS-UHFFFAOYSA-N
MW422.78 g/mol
LogP4.14
Rot. Bonds6

About 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

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 (PubChem CID 151722672) has the molecular formula C15H34O6Si4 and a molecular weight of 422.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butyl 2-methylprop-2-enoate
PubChem CID151722672
Molecular FormulaC15H34O6Si4
Molecular Weight422.78 g/mol
Exact Mass422.14
IUPAC Name4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C15H34O6Si4/c1-14(2)15(16)17-12-10-11-13-25(9)20-23(5,6)18-22(3,4)19-24(7,8)21-25/h1,10-13H2,2-9H3
InChIKeyRIXILMQBMXMSIS-UHFFFAOYSA-N
XLogP4.14
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.78
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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
[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
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-[4-[2-[[[2-[[[2-[[[dimethyl-[2-[2,4,6,8-tetramethyl-4-[4-(2-methylprop-2-enoyloxy)butyl]-6,8-bis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]oxy-[2-[[[2-[4-[2-[[[dimethyl-[2-[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]ethyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2,4,6,8-tetramethyl-6,8-bis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2,4,6,8-tetramethyl-6,8-bis[3-(2-methylprop-2-enoyloxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]butyl 2-methylprop-2-enoate
CID 90129156
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
CID 174985776
CID 174985776
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
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
2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;propyl 2-methylprop-2-enoate
CID 172847333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)C(=O)OCCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 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?
The InChIKey is RIXILMQBMXMSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O6Si4/c1-14(2)15(16)17-12-10-11-13-25(9)20-23(5,6)18-22(3,4)19-24(7,8)21-25/h1,10-13H2,2-9H3.
What are the key properties of 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?
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 has a molecular weight of 422.78 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 151722672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).