1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate

C23H42F8O7Si4 — CID 173368512

IUPAC1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate
SMILESCCC(=CC(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C23H42F8O7Si4/c1-12-15(20(33)35-21(27)23(30,31)22(28,29)18(24)19(25)26)14-16(32)34-17(13-2)42(36-39(3,4)5,37-40(6,7)8)38-41(9,10)11/h14,17-19,21H,12-13H2,1-11H3
InChIKeySNORUGOQGJZHOE-UHFFFAOYSA-N
MW694.91 g/mol
LogP7.39
Rot. Bonds17

About 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate

1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate (PubChem CID 173368512) has the molecular formula C23H42F8O7Si4 and a molecular weight of 694.91 g/mol. Its IUPAC name is 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate.

Molecular Properties

Compound Name1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate
PubChem CID173368512
Molecular FormulaC23H42F8O7Si4
Molecular Weight694.91 g/mol
Exact Mass694.19
IUPAC Name1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate
SMILESCCC(=CC(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C23H42F8O7Si4/c1-12-15(20(33)35-21(27)23(30,31)22(28,29)18(24)19(25)26)14-16(32)34-17(13-2)42(36-39(3,4)5,37-40(6,7)8)38-41(9,10)11/h14,17-19,21H,12-13H2,1-11H3
InChIKeySNORUGOQGJZHOE-UHFFFAOYSA-N
XLogP7.39
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.91
LogP ≤ 57.39
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate?
The IUPAC name of 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate (CID 173368512) is 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate.
What is the SMILES notation for 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate?
The canonical SMILES for 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate is CCC(=CC(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate?
The InChIKey is SNORUGOQGJZHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42F8O7Si4/c1-12-15(20(33)35-21(27)23(30,31)22(28,29)18(24)19(25)26)14-16(32)34-17(13-2)42(36-39(3,4)5,37-40(6,7)8)38-41(9,10)11/h14,17-19,21H,12-13H2,1-11H3.
What are the key properties of 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate?
1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate has a molecular weight of 694.91 g/mol, XLogP of 7.39, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 4-O-[1-tris(trimethylsilyloxy)silylpropyl] 2-ethylbut-2-enedioate is sourced from PubChem (CID 173368512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).