2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate

C19H34F6O7Si4-2 — CID 154150838

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate
SMILESC[Si](C)(C)O[Si](CCCC(C(=O)[O-])=C(C(=O)[O-])C(C(F)(F)F)C(F)(F)F)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H36F6O7Si4/c1-33(2,3)30-36(31-34(4,5)6,32-35(7,8)9)12-10-11-13(16(26)27)14(17(28)29)15(18(20,21)22)19(23,24)25/h15H,10-12H2,1-9H3,(H,26,27)(H,28,29)/p-2
InChIKeyJLYNFXULFBDTMA-UHFFFAOYSA-L
MW600.81 g/mol
LogP3.80
Rot. Bonds13

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate

2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate (PubChem CID 154150838) has the molecular formula C19H34F6O7Si4-2 and a molecular weight of 600.81 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate
PubChem CID154150838
Molecular FormulaC19H34F6O7Si4-2
Molecular Weight600.81 g/mol
Exact Mass600.13
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate
SMILESC[Si](C)(C)O[Si](CCCC(C(=O)[O-])=C(C(=O)[O-])C(C(F)(F)F)C(F)(F)F)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H36F6O7Si4/c1-33(2,3)30-36(31-34(4,5)6,32-35(7,8)9)12-10-11-13(16(26)27)14(17(28)29)15(18(20,21)22)19(23,24)25/h15H,10-12H2,1-9H3,(H,26,27)(H,28,29)/p-2
InChIKeyJLYNFXULFBDTMA-UHFFFAOYSA-L
XLogP3.80
TPSA107.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.81
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2,3-bis[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioic acid
CID 54305783
azanium 4-[2-tris(trimethylsilyloxy)silylethylsulfanyl]butanoate
CID 178068199
(E)-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-propan-2-ylbut-2-enedioic acid
CID 88503616
3-tris(trimethylsilyloxy)silylpropyl carbamate
CID 23366258
butyl-tris(trimethylsilyloxy)silane
CID 19881442
11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
CID 58363243
2-methyl-N-[4-[[4-(2-methylprop-2-enoylamino)butyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]butyl]prop-2-enamide
CID 87119608
trimethyl-[3-silylpropyl-bis(trimethylsilyloxy)silyl]oxysilane
CID 123962138
3-tris(trimethylsilyloxy)silylpropane-1-thiol
CID 18003138
1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate
CID 139675871
5-(trifluoromethyl)undecan-6-one
CID 14914268
dodecyl-tris(trimethylsilyloxy)silane
CID 23033816

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate (CID 154150838) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate is C[Si](C)(C)O[Si](CCCC(C(=O)[O-])=C(C(=O)[O-])C(C(F)(F)F)C(F)(F)F)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate?
The InChIKey is JLYNFXULFBDTMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H36F6O7Si4/c1-33(2,3)30-36(31-34(4,5)6,32-35(7,8)9)12-10-11-13(16(26)27)14(17(28)29)15(18(20,21)22)19(23,24)25/h15H,10-12H2,1-9H3,(H,26,27)(H,28,29)/p-2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate?
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate has a molecular weight of 600.81 g/mol, XLogP of 3.80, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioate is sourced from PubChem (CID 154150838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).