methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate

C19H36O4Si — CID 71814812

IUPACmethyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate
SMILESC=C/C=C(\C)CC[C@@H](C[C@@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-9-10-15(2)11-12-17(13-16(20)14-18(21)22-6)23-24(7,8)19(3,4)5/h9-10,16-17,20H,1,11-14H2,2-8H3/b15-10+/t16-,17+/m1/s1
InChIKeyNGDGLYWDDWVQPP-GUJBPHSMSA-N
MW356.58 g/mol
LogP4.60
Rot. Bonds10

About methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate

methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate (PubChem CID 71814812) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate.

Molecular Properties

Compound Namemethyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate
PubChem CID71814812
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Namemethyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate
SMILESC=C/C=C(\C)CC[C@@H](C[C@@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-9-10-15(2)11-12-17(13-16(20)14-18(21)22-6)23-24(7,8)19(3,4)5/h9-10,16-17,20H,1,11-14H2,2-8H3/b15-10+/t16-,17+/m1/s1
InChIKeyNGDGLYWDDWVQPP-GUJBPHSMSA-N
XLogP4.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate?
The IUPAC name of methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate (CID 71814812) is methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate.
What is the SMILES notation for methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate?
The canonical SMILES for methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate is C=C/C=C(\C)CC[C@@H](C[C@@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate?
The InChIKey is NGDGLYWDDWVQPP-GUJBPHSMSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-9-10-15(2)11-12-17(13-16(20)14-18(21)22-6)23-24(7,8)19(3,4)5/h9-10,16-17,20H,1,11-14H2,2-8H3/b15-10+/t16-,17+/m1/s1.
What are the key properties of methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate?
methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate has a molecular weight of 356.58 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate is sourced from PubChem (CID 71814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).