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

C22H42O5Si2 — CID 10321157

IUPACmethyl (5R,7S)-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+/m0/s1
InChIKeyLIWKONCXYLTYFV-AQCCAAQSSA-N
MW442.75 g/mol
LogP6.02
Rot. Bonds14

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

methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate (PubChem CID 10321157) has the molecular formula C22H42O5Si2 and a molecular weight of 442.75 g/mol. Its IUPAC name is methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate.

Molecular Properties

Compound Namemethyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate
PubChem CID10321157
Molecular FormulaC22H42O5Si2
Molecular Weight442.75 g/mol
Exact Mass442.26
IUPAC Namemethyl (5R,7S)-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+/m0/s1
InChIKeyLIWKONCXYLTYFV-AQCCAAQSSA-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

methyl (4R,6R)-6-methyl-4-trimethylsilyloxynon-8-en-2-ynoate
CID 11054685
(5R,7R)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-(furan-3-yl)-8,8-dimethyl-1-pyrrolidin-1-yl-5-trimethylsilyloxynonan-1-one
CID 10325250
butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422
4-O-ethyl 1-O-methyl butanedioate
CID 522068
bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
ethyl (4R,5R)-5-methyl-3-oxo-4-trimethylsilyloxyhept-6-enoate
CID 12035786
ethyl 4-trimethylsilyloxypent-4-enoate
CID 13353135
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
ethyl 6-methoxycarbonyloxy-2-prop-2-enylhex-4-ynoate
CID 101422253
methyl (7S,10E)-7-trimethylsilyloxyheptadeca-10,16-dien-8-ynoate
CID 162875095
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
methyl 4-methyl-3-oxohept-6-enoate
CID 14289171

Frequently Asked Questions

What is the IUPAC name of methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
The IUPAC name of methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate (CID 10321157) is methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate.
What is the SMILES notation for methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
The canonical SMILES for methyl (5R,7S)-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,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
The InChIKey is LIWKONCXYLTYFV-AQCCAAQSSA-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+/m0/s1.
What are the key properties of methyl (5R,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate?
methyl (5R,7S)-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,7S)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-5-trimethylsilyloxydec-9-enoate is sourced from PubChem (CID 10321157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).