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

C16H30O4Si — CID 88894135

IUPACethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
SMILESCCOC(=O)CCC[C@H](O)/C=C/C=C/[C@@H](O)C[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-5-20-16(19)12-8-11-14(17)9-6-7-10-15(18)13-21(2,3)4/h6-7,9-10,14-15,17-18H,5,8,11-13H2,1-4H3/b9-6+,10-7+/t14-,15-/m1/s1
InChIKeyPQNUERKOQFIFCG-XLXWYHOOSA-N
MW314.50 g/mol
LogP2.89
Rot. Bonds10

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

ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate (PubChem CID 88894135) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate.

Molecular Properties

Compound Nameethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
PubChem CID88894135
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nameethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate
SMILESCCOC(=O)CCC[C@H](O)/C=C/C=C/[C@@H](O)C[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-5-20-16(19)12-8-11-14(17)9-6-7-10-15(18)13-21(2,3)4/h6-7,9-10,14-15,17-18H,5,8,11-13H2,1-4H3/b9-6+,10-7+/t14-,15-/m1/s1
InChIKeyPQNUERKOQFIFCG-XLXWYHOOSA-N
XLogP2.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.89
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 ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
The IUPAC name of ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate (CID 88894135) is ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate.
What is the SMILES notation for ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
The canonical SMILES for ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate is CCOC(=O)CCC[C@H](O)/C=C/C=C/[C@@H](O)C[Si](C)(C)C.
What is the InChIKey of ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
The InChIKey is PQNUERKOQFIFCG-XLXWYHOOSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-5-20-16(19)12-8-11-14(17)9-6-7-10-15(18)13-21(2,3)4/h6-7,9-10,14-15,17-18H,5,8,11-13H2,1-4H3/b9-6+,10-7+/t14-,15-/m1/s1.
What are the key properties of ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate?
ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate has a molecular weight of 314.50 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S,6E,8E,10R)-5,10-dihydroxy-11-trimethylsilylundeca-6,8-dienoate is sourced from PubChem (CID 88894135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).