methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate

C22H42O5Si2 — CID 10252824

IUPACmethyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
SMILESC=CC[C@@H](C)C[C@@H](O[Si](C)(C)C)C(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OC
InChIInChI=1S/C22H42O5Si2/c1-11-13-18(3)16-20(26-28(5,6)7)19(14-15-21(23)24-4)17-22(25-12-2)27-29(8,9)10/h11,18,20H,1,12-16H2,2-10H3/t17?,18-,20-/m1/s1
InChIKeyLIWKONCXYLTYFV-PGDXBAMXSA-N
MW442.75 g/mol
LogP6.02
Rot. Bonds14

About methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate

methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate (PubChem CID 10252824) has the molecular formula C22H42O5Si2 and a molecular weight of 442.75 g/mol. Its IUPAC name is methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate.

Molecular Properties

Compound Namemethyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
PubChem CID10252824
Molecular FormulaC22H42O5Si2
Molecular Weight442.75 g/mol
Exact Mass442.26
IUPAC Namemethyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
SMILESC=CC[C@@H](C)C[C@@H](O[Si](C)(C)C)C(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OC
InChIInChI=1S/C22H42O5Si2/c1-11-13-18(3)16-20(26-28(5,6)7)19(14-15-21(23)24-4)17-22(25-12-2)27-29(8,9)10/h11,18,20H,1,12-16H2,2-10H3/t17?,18-,20-/m1/s1
InChIKeyLIWKONCXYLTYFV-PGDXBAMXSA-N
XLogP6.02
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 ≤ 56.02
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

(4R,6S,7S,8R,12R)-12-ethyl-7-methyl-4-[(E)-2-tributylstannylethenyl]-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-oxacyclododecan-2-one
CID 10941869
[(4R,5S,7E,9R,10R,12R)-10,12-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9-trimethyltrideca-1,7-dien-4-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
CID 134867137
(6S,7S,9E,12R)-12-[(2S,4E,6R,7R,9R)-7,9-bis[(tert-Butyldimethylsilyl)oxy]-4,6-dimethyldec-4-en-2-yl]-6-[(tert-butyldimethylsilyl)oxy]-7-methyl-1-oxacyclododec-9-en-2-one
CID 89570845
(6S,7S,9Z,12R)-12-[(E,2S,6R,7R,9R)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyldec-4-en-2-yl]-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-oxacyclododec-9-en-2-one
CID 140658609
(6S,7S,12R)-12-[(2S,6R,7R,9R)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyldec-4-en-2-yl]-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-oxacyclododec-9-en-2-one
CID 173509273
dimethyl (Z,4S,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate
CID 9984421
Ethyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-8-methyl-5-trimethylsilyloxynon-8-enoate
CID 10003494
methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate
CID 10005583
methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
CID 10321157
dimethyl (Z,4R,6R)-7-(2-ethoxy-2-trimethylsilyloxyethenylidene)-3-methyl-4-propan-2-yl-6-trimethylsilyloxydec-2-enedioate
CID 10324674
methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate
CID 10390635
methyl (2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enoate
CID 10838664

Frequently Asked Questions

What is the IUPAC name of methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
The IUPAC name of methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate (CID 10252824) is methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate.
What is the SMILES notation for methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
The canonical SMILES for methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate is C=CC[C@@H](C)C[C@@H](O[Si](C)(C)C)C(=C=C(OCC)O[Si](C)(C)C)CCC(=O)OC.
What is the InChIKey of methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
The InChIKey is LIWKONCXYLTYFV-PGDXBAMXSA-N. The full InChI is InChI=1S/C22H42O5Si2/c1-11-13-18(3)16-20(26-28(5,6)7)19(14-15-21(23)24-4)17-22(25-12-2)27-29(8,9)10/h11,18,20H,1,12-16H2,2-10H3/t17?,18-,20-/m1/s1.
What are the key properties of methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate has a molecular weight of 442.75 g/mol, XLogP of 6.02, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate is sourced from PubChem (CID 10252824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).