methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate

C30H64O6Si3 — CID 10886582

IUPACmethyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate
SMILESCOC(=O)[C@@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O6Si3/c1-22(2)20-21-23(34-37(14,15)28(3,4)5)24(35-38(16,17)29(6,7)8)25(26(32-12)27(31)33-13)36-39(18,19)30(9,10)11/h20-26H,1-19H3/b21-20+/t23-,24+,25-,26-/m0/s1
InChIKeyYFHZXUQYSKETKU-XSMUWSFPSA-N
MW605.09 g/mol
LogP8.56
Rot. Bonds13

About methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate

methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate (PubChem CID 10886582) has the molecular formula C30H64O6Si3 and a molecular weight of 605.09 g/mol. Its IUPAC name is methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate.

Molecular Properties

Compound Namemethyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate
PubChem CID10886582
Molecular FormulaC30H64O6Si3
Molecular Weight605.09 g/mol
Exact Mass604.40
IUPAC Namemethyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate
SMILESCOC(=O)[C@@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O6Si3/c1-22(2)20-21-23(34-37(14,15)28(3,4)5)24(35-38(16,17)29(6,7)8)25(26(32-12)27(31)33-13)36-39(18,19)30(9,10)11/h20-26H,1-19H3/b21-20+/t23-,24+,25-,26-/m0/s1
InChIKeyYFHZXUQYSKETKU-XSMUWSFPSA-N
XLogP8.56
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.09
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate with MolForge

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Related Compounds

(2R)-2-[(4R,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetic acid
CID 139260455
(E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoic acid
CID 11135683
methyl (Z,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate
CID 11006552
[(1R)-4-ethoxy-2,4-dioxo-1-[(2S,6S)-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-6-yl]butyl] 2,2-dimethylpropanoate
CID 102190488
methyl (4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-tris[[tert-butyl(dimethyl)silyl]oxy]docosa-6,8,10,13,15,19-hexaenoate
CID 132574608

Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate?
The IUPAC name of methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate (CID 10886582) is methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate.
What is the SMILES notation for methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate?
The canonical SMILES for methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate is COC(=O)[C@@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate?
The InChIKey is YFHZXUQYSKETKU-XSMUWSFPSA-N. The full InChI is InChI=1S/C30H64O6Si3/c1-22(2)20-21-23(34-37(14,15)28(3,4)5)24(35-38(16,17)29(6,7)8)25(26(32-12)27(31)33-13)36-39(18,19)30(9,10)11/h20-26H,1-19H3/b21-20+/t23-,24+,25-,26-/m0/s1.
What are the key properties of methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate?
methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate has a molecular weight of 605.09 g/mol, XLogP of 8.56, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methylnon-6-enoate is sourced from PubChem (CID 10886582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).