[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

C23H52O9Si6 — CID 123245733

IUPAC[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(OC(=O)C(=C)C)[Si](O[SiH](O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H52O9Si6/c1-18-23(26-21(24)19(2)3,27-22(25)20(4)5)38(31-36(12,13)14,32-37(15,16)17)30-33(28-34(6,7)8)29-35(9,10)11/h33H,2,4,18H2,1,3,5-17H3
InChIKeyNLDLRAIJQUVNLB-UHFFFAOYSA-N
MW641.18 g/mol
LogP5.95
Rot. Bonds16

About [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (PubChem CID 123245733) has the molecular formula C23H52O9Si6 and a molecular weight of 641.18 g/mol. Its IUPAC name is [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
PubChem CID123245733
Molecular FormulaC23H52O9Si6
Molecular Weight641.18 g/mol
Exact Mass640.22
IUPAC Name[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(OC(=O)C(=C)C)[Si](O[SiH](O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H52O9Si6/c1-18-23(26-21(24)19(2)3,27-22(25)20(4)5)38(31-36(12,13)14,32-37(15,16)17)30-33(28-34(6,7)8)29-35(9,10)11/h33H,2,4,18H2,1,3,5-17H3
InChIKeyNLDLRAIJQUVNLB-UHFFFAOYSA-N
XLogP5.95
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.18
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate
CID 54339684
tris(trimethylsilyloxy)silyl 2-methylprop-2-enoate
CID 23108290
3,3,3-tris[tris(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18508468
2-methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
CID 87238025
2,6-dimethyl-4-[methyl(trimethylsilyloxy)silyl]-4-propylhepta-1,6-diene-3,5-dione
CID 123150910
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
CID 97052188
[5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate
CID 18739240
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate
CID 87430550

Frequently Asked Questions

What is the IUPAC name of [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (CID 123245733) is [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)(OC(=O)C(=C)C)[Si](O[SiH](O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The InChIKey is NLDLRAIJQUVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O9Si6/c1-18-23(26-21(24)19(2)3,27-22(25)20(4)5)38(31-36(12,13)14,32-37(15,16)17)30-33(28-34(6,7)8)29-35(9,10)11/h33H,2,4,18H2,1,3,5-17H3.
What are the key properties of [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
[1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate has a molecular weight of 641.18 g/mol, XLogP of 5.95, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[bis(trimethylsilyloxy)silyloxy-bis(trimethylsilyloxy)silyl]-1-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123245733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).