ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate

C22H42O5Si2 — CID 10003494

IUPACethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate
SMILESC=C(C)CCC(O[Si](C)(C)C)C(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OCC
InChIInChI=1S/C22H42O5Si2/c1-11-24-21(23)16-14-19(17-22(25-12-2)27-29(8,9)10)20(15-13-18(3)4)26-28(5,6)7/h20H,3,11-16H2,1-2,4-10H3
InChIKeyUZXZXDDCNMPSQX-UHFFFAOYSA-N
MW442.75 g/mol
LogP6.16
Rot. Bonds14

About ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate

ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate (PubChem CID 10003494) has the molecular formula C22H42O5Si2 and a molecular weight of 442.75 g/mol. Its IUPAC name is ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate
PubChem CID10003494
Molecular FormulaC22H42O5Si2
Molecular Weight442.75 g/mol
Exact Mass442.26
IUPAC Nameethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate
SMILESC=C(C)CCC(O[Si](C)(C)C)C(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OCC
InChIInChI=1S/C22H42O5Si2/c1-11-24-21(23)16-14-19(17-22(25-12-2)27-29(8,9)10)20(15-13-18(3)4)26-28(5,6)7/h20H,3,11-16H2,1-2,4-10H3
InChIKeyUZXZXDDCNMPSQX-UHFFFAOYSA-N
XLogP6.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoate
CID 101937869
Methyl 3-{(2r)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129744158
Methyl 3-{(2s)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129750970
Methyl 3-[(2s)-2-{[t-butyl(dimethyl)silyl]oxy}-tridecyl]but-3-enoate
CID 129758635
methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate
CID 10005583
methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
CID 10252824
methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
CID 10321157
methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate
CID 10390635

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate?
The IUPAC name of ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate (CID 10003494) is ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate.
What is the SMILES notation for ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate?
The canonical SMILES for ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate is C=C(C)CCC(O[Si](C)(C)C)C(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OCC.
What is the InChIKey of ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate?
The InChIKey is UZXZXDDCNMPSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O5Si2/c1-11-24-21(23)16-14-19(17-22(25-12-2)27-29(8,9)10)20(15-13-18(3)4)26-28(5,6)7/h20H,3,11-16H2,1-2,4-10H3.
What are the key properties of ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate?
ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate has a molecular weight of 442.75 g/mol, XLogP of 6.16, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate is sourced from PubChem (CID 10003494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).