ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate

C25H52O4Si2 — CID 11059800

IUPACethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C25H52O4Si2/c1-15-18(3)22(29-31(13,14)25(7,8)9)21(6)23(28-30(10,11)12)19(4)17-20(5)24(26)27-16-2/h17-19,21-23H,15-16H2,1-14H3/b20-17+/t18-,19+,21-,22+,23-/m0/s1
InChIKeyDJFHISCKHCOLGF-QRQORTHSSA-N
MW472.86 g/mol
LogP7.42
Rot. Bonds12

About ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate

ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate (PubChem CID 11059800) has the molecular formula C25H52O4Si2 and a molecular weight of 472.86 g/mol. Its IUPAC name is ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate
PubChem CID11059800
Molecular FormulaC25H52O4Si2
Molecular Weight472.86 g/mol
Exact Mass472.34
IUPAC Nameethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C25H52O4Si2/c1-15-18(3)22(29-31(13,14)25(7,8)9)21(6)23(28-30(10,11)12)19(4)17-20(5)24(26)27-16-2/h17-19,21-23H,15-16H2,1-14H3/b20-17+/t18-,19+,21-,22+,23-/m0/s1
InChIKeyDJFHISCKHCOLGF-QRQORTHSSA-N
XLogP7.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.86
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate?
The IUPAC name of ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate (CID 11059800) is ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate.
What is the SMILES notation for ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate?
The canonical SMILES for ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate is CCOC(=O)/C(C)=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC.
What is the InChIKey of ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate?
The InChIKey is DJFHISCKHCOLGF-QRQORTHSSA-N. The full InChI is InChI=1S/C25H52O4Si2/c1-15-18(3)22(29-31(13,14)25(7,8)9)21(6)23(28-30(10,11)12)19(4)17-20(5)24(26)27-16-2/h17-19,21-23H,15-16H2,1-14H3/b20-17+/t18-,19+,21-,22+,23-/m0/s1.
What are the key properties of ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate?
ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate has a molecular weight of 472.86 g/mol, XLogP of 7.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enoate is sourced from PubChem (CID 11059800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).