2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate

C24H48O5Si2 — CID 46846107

IUPAC2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H](CCC/C(C)=C/C(=O)OCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C24H48O5Si2/c1-10-31(11-2,12-3)29-21(5)19-23(28-22(6)25)15-13-14-20(4)18-24(26)27-16-17-30(7,8)9/h18,21,23H,10-17,19H2,1-9H3/b20-18+/t21-,23+/m1/s1
InChIKeyDTWLCIRMTNQRBE-OPFGUVMXSA-N
MW472.82 g/mol
LogP6.72
Rot. Bonds16

About 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate

2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate (PubChem CID 46846107) has the molecular formula C24H48O5Si2 and a molecular weight of 472.82 g/mol. Its IUPAC name is 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate
PubChem CID46846107
Molecular FormulaC24H48O5Si2
Molecular Weight472.82 g/mol
Exact Mass472.30
IUPAC Name2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate
SMILESCC[Si](CC)(CC)O[C@H](C)C[C@H](CCC/C(C)=C/C(=O)OCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C24H48O5Si2/c1-10-31(11-2,12-3)29-21(5)19-23(28-22(6)25)15-13-14-20(4)18-24(26)27-16-17-30(7,8)9/h18,21,23H,10-17,19H2,1-9H3/b20-18+/t21-,23+/m1/s1
InChIKeyDTWLCIRMTNQRBE-OPFGUVMXSA-N
XLogP6.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
(2S)-3-methyl-2-[(1R,2R)-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
CID 10862237
octyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylideneoxan-2-yl]-3-methylbut-2-enoate
CID 101185873
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
methyl (E)-3-[(6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohepten-1-yl]prop-2-enoate
CID 12162139
methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
CID 24949356
[(2E,3S,5S)-3-acetyloxy-10-methyl-6-methylidene-2-(2-oxoethylidene)-5-triethylsilyloxyundec-9-en-7-ynyl] acetate
CID 25208644
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
methyl (Z)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 101049472

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate?
The IUPAC name of 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate (CID 46846107) is 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate.
What is the SMILES notation for 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate?
The canonical SMILES for 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate is CC[Si](CC)(CC)O[C@H](C)C[C@H](CCC/C(C)=C/C(=O)OCC[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate?
The InChIKey is DTWLCIRMTNQRBE-OPFGUVMXSA-N. The full InChI is InChI=1S/C24H48O5Si2/c1-10-31(11-2,12-3)29-21(5)19-23(28-22(6)25)15-13-14-20(4)18-24(26)27-16-17-30(7,8)9/h18,21,23H,10-17,19H2,1-9H3/b20-18+/t21-,23+/m1/s1.
What are the key properties of 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate?
2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate has a molecular weight of 472.82 g/mol, XLogP of 6.72, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (E,7S,9R)-7-acetyloxy-3-methyl-9-triethylsilyloxydec-2-enoate is sourced from PubChem (CID 46846107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).