2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate

C28H52O8Si2 — CID 5366453

IUPAC2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate
SMILESCC(CC1OC(C)(C)OC1/C=C/C(=O)OC(C)C/C=C/C(=O)OCC[Si](C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C28H52O8Si2/c1-22(12-11-13-26(29)32-17-19-38(8,9)10)34-27(30)15-14-24-25(36-28(3,4)35-24)20-23(2)33-21-31-16-18-37(5,6)7/h11,13-15,22-25H,12,16-21H2,1-10H3/b13-11+,15-14+
InChIKeyWILKQSKBXOJYGT-VVOKNZMXSA-N
MW572.89 g/mol
LogP5.93
Rot. Bonds17

About 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate

2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate (PubChem CID 5366453) has the molecular formula C28H52O8Si2 and a molecular weight of 572.89 g/mol. Its IUPAC name is 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate
PubChem CID5366453
Molecular FormulaC28H52O8Si2
Molecular Weight572.89 g/mol
Exact Mass572.32
IUPAC Name2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate
SMILESCC(CC1OC(C)(C)OC1/C=C/C(=O)OC(C)C/C=C/C(=O)OCC[Si](C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C28H52O8Si2/c1-22(12-11-13-26(29)32-17-19-38(8,9)10)34-27(30)15-14-24-25(36-28(3,4)35-24)20-23(2)33-21-31-16-18-37(5,6)7/h11,13-15,22-25H,12,16-21H2,1-10H3/b13-11+,15-14+
InChIKeyWILKQSKBXOJYGT-VVOKNZMXSA-N
XLogP5.93
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.89
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 13006406
(1R,3R,6E,9R,12E,14R)-3,9,16,16-tetramethyl-4,10,15,17-tetraoxabicyclo[12.3.0]heptadeca-6,12-diene-5,11-dione
CID 13858773
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
ethyl (2E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5S)-5-but-3-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,8-dienoate
CID 46184746
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
[(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-yl] prop-2-enoate
CID 53362387
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)-5,6-dihydropyran-2-one
CID 101520627
ethyl (E,5R,6R,7R)-5,6,7-tris(methoxymethoxy)oct-2-enoate
CID 134834951

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate?
The IUPAC name of 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate (CID 5366453) is 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate.
What is the SMILES notation for 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate?
The canonical SMILES for 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate is CC(CC1OC(C)(C)OC1/C=C/C(=O)OC(C)C/C=C/C(=O)OCC[Si](C)(C)C)OCOCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate?
The InChIKey is WILKQSKBXOJYGT-VVOKNZMXSA-N. The full InChI is InChI=1S/C28H52O8Si2/c1-22(12-11-13-26(29)32-17-19-38(8,9)10)34-27(30)15-14-24-25(36-28(3,4)35-24)20-23(2)33-21-31-16-18-37(5,6)7/h11,13-15,22-25H,12,16-21H2,1-10H3/b13-11+,15-14+.
What are the key properties of 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate?
2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate has a molecular weight of 572.89 g/mol, XLogP of 5.93, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (E)-5-[(E)-3-[2,2-dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)propyl]-1,3-dioxolan-4-yl]prop-2-enoyl]oxyhex-2-enoate is sourced from PubChem (CID 5366453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).