methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate

C32H64O5Si2 — CID 10995492

About methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate

methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate (PubChem CID 10995492) has the molecular formula C32H64O5Si2 and a molecular weight of 585.03 g/mol. Its IUPAC name is methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate.

Molecular Properties

• Compound Name: methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate
• PubChem CID: 10995492
• Molecular Formula: C32H64O5Si2
• Molecular Weight: 585.03 g/mol
• Exact Mass: 584.43
• IUPAC Name: methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate
• SMILES: C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(/C=C\C(=O)OC)CC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H64O5Si2/c1-17-19-20-24(3)30(35-12)25(4)27(36-38(13,14)31(5,6)7)23-28(37-39(15,16)32(8,9)10)26(18-2)21-22-29(33)34-11/h17,19,21-22,24-28,30H,18,20,23H2,1-16H3/b19-17+,22-21-/t24-,25-,26?,27+,28+,30+/m0/s1
• InChIKey: OVVYTXIEMUFYEC-FMEGKLPWSA-N
• XLogP: 9.17
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.03
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate?

The IUPAC name of methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate (CID 10995492) is methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate.

What is the SMILES notation for methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate?

The canonical SMILES for methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate is C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(/C=C\C(=O)OC)CC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate?

The InChIKey is OVVYTXIEMUFYEC-FMEGKLPWSA-N. The full InChI is InChI=1S/C32H64O5Si2/c1-17-19-20-24(3)30(35-12)25(4)27(36-38(13,14)31(5,6)7)23-28(37-39(15,16)32(8,9)10)26(18-2)21-22-29(33)34-11/h17,19,21-22,24-28,30H,18,20,23H2,1-16H3/b19-17+,22-21-/t24-,25-,26?,27+,28+,30+/m0/s1.

What are the key properties of methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate?

methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate has a molecular weight of 585.03 g/mol, XLogP of 9.17, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate is sourced from PubChem (CID 10995492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).