(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one

C23H44O4Si2 — CID 10026284

IUPAC(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one
SMILESC=C(CC)[C@@H](O[Si](C)(C)C)[C@H](C)C(=O)[C@H](C)[C@@H](O/C(=C\C)O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C23H44O4Si2/c1-14-17(5)23(27-29(11,12)13)19(7)21(24)18(6)22(16(3)4)25-20(15-2)26-28(8,9)10/h15,18-19,22-23H,3,5,14H2,1-2,4,6-13H3/b20-15+/t18-,19+,22-,23+/m0/s1
InChIKeyIROGVGMTJJGTEF-UNEZHFMWSA-N
MW440.77 g/mol
LogP6.69
Rot. Bonds13

About (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one

(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one (PubChem CID 10026284) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one.

Molecular Properties

Compound Name(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one
PubChem CID10026284
Molecular FormulaC23H44O4Si2
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Name(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one
SMILESC=C(CC)[C@@H](O[Si](C)(C)C)[C@H](C)C(=O)[C@H](C)[C@@H](O/C(=C\C)O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C23H44O4Si2/c1-14-17(5)23(27-29(11,12)13)19(7)21(24)18(6)22(16(3)4)25-20(15-2)26-28(8,9)10/h15,18-19,22-23H,3,5,14H2,1-2,4,6-13H3/b20-15+/t18-,19+,22-,23+/m0/s1
InChIKeyIROGVGMTJJGTEF-UNEZHFMWSA-N
XLogP6.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one with MolForge

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Related Compounds

[(3R,4R,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-8-methylidene-5-oxodec-1-en-3-yl] propanoate
CID 10319408
(3R,4R,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-8-methylidene-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one
CID 11755023

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one?
The IUPAC name of (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one (CID 10026284) is (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one.
What is the SMILES notation for (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one?
The canonical SMILES for (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one is C=C(CC)[C@@H](O[Si](C)(C)C)[C@H](C)C(=O)[C@H](C)[C@@H](O/C(=C\C)O[Si](C)(C)C)C(=C)C.
What is the InChIKey of (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one?
The InChIKey is IROGVGMTJJGTEF-UNEZHFMWSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-14-17(5)23(27-29(11,12)13)19(7)21(24)18(6)22(16(3)4)25-20(15-2)26-28(8,9)10/h15,18-19,22-23H,3,5,14H2,1-2,4,6-13H3/b20-15+/t18-,19+,22-,23+/m0/s1.
What are the key properties of (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one?
(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one has a molecular weight of 440.77 g/mol, XLogP of 6.69, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-trimethylsilyloxy-3-[(E)-1-trimethylsilyloxyprop-1-enoxy]dec-1-en-5-one is sourced from PubChem (CID 10026284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).