methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate

C15H28O4Si — CID 88894113

IUPACmethyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
SMILESCOC(=O)CCC[C@@H](O)/C=C/C=C/[C@H](O)C[Si](C)(C)C
InChIInChI=1S/C15H28O4Si/c1-19-15(18)11-7-10-13(16)8-5-6-9-14(17)12-20(2,3)4/h5-6,8-9,13-14,16-17H,7,10-12H2,1-4H3/b8-5+,9-6+/t13-,14-/m0/s1
InChIKeyZYRSTEWQOGGXBP-QMZQISMRSA-N
MW300.47 g/mol
LogP2.50
Rot. Bonds9

About methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate

methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate (PubChem CID 88894113) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate.

Molecular Properties

Compound Namemethyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
PubChem CID88894113
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
SMILESCOC(=O)CCC[C@@H](O)/C=C/C=C/[C@H](O)C[Si](C)(C)C
InChIInChI=1S/C15H28O4Si/c1-19-15(18)11-7-10-13(16)8-5-6-9-14(17)12-20(2,3)4/h5-6,8-9,13-14,16-17H,7,10-12H2,1-4H3/b8-5+,9-6+/t13-,14-/m0/s1
InChIKeyZYRSTEWQOGGXBP-QMZQISMRSA-N
XLogP2.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
The IUPAC name of methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate (CID 88894113) is methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate.
What is the SMILES notation for methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
The canonical SMILES for methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate is COC(=O)CCC[C@@H](O)/C=C/C=C/[C@H](O)C[Si](C)(C)C.
What is the InChIKey of methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
The InChIKey is ZYRSTEWQOGGXBP-QMZQISMRSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-19-15(18)11-7-10-13(16)8-5-6-9-14(17)12-20(2,3)4/h5-6,8-9,13-14,16-17H,7,10-12H2,1-4H3/b8-5+,9-6+/t13-,14-/m0/s1.
What are the key properties of methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate has a molecular weight of 300.47 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,6E,8E,10S)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate is sourced from PubChem (CID 88894113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).