2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

C67H108O13PSi3+ — CID 123916661

About 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate

2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (PubChem CID 123916661) has the molecular formula C67H108O13PSi3+ and a molecular weight of 1236.82 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
• PubChem CID: 123916661
• Molecular Formula: C67H108O13PSi3+
• Molecular Weight: 1236.82 g/mol
• Exact Mass: 1235.68
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate
• SMILES: C#CC[C@@H](O)/C=C/C=C/C#C[C@H](O)CCCC(=O)OC.CC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C.CCOCC.COC(=O)CCC[C@@H](C)C#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C.COC(=O)CCC[C@@H](C)C#C/C=C/CO[PH+]=O
• InChI: InChI=1S/C21H32O2Si.C16H20O4.C14H28O2Si2.C12H18O4P.C4H10O/c1-19(15-11-17-21(22)23-3)13-9-7-8-10-14-20(2)16-12-18-24(4,5)6;1-3-9-14(17)10-6-4-5-7-11-15(18)12-8-13-16(19)20-2;1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6;1-11(8-6-9-12(13)15-2)7-4-3-5-10-16-17-14;1-3-5-4-2/h7-8,10,14,19-20H,11,15-17H2,1-6H3;1,4-6,10,14-15,17-18H,8-9,12-13H2,2H3;12-13H,10H2,1-8H3;3,5,11,17H,6,8-10H2,1-2H3;3-4H2,1-2H3/q;;;+1;/b8-7+,14-10+;5-4+,10-6+;;5-3+;/t19-,20-;14-,15+;;11-;/m01.0./s1
• InChIKey: KUHCOHZWZMPBSF-YTYCSIDQSA-N
• XLogP: 13.55
• TPSA: 181.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 27
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.82
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate (CID 123916661) is 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is C#CC[C@@H](O)/C=C/C=C/C#C[C@H](O)CCCC(=O)OC.CC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C.CCOCC.COC(=O)CCC[C@@H](C)C#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C.COC(=O)CCC[C@@H](C)C#C/C=C/CO[PH+]=O.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?

The InChIKey is KUHCOHZWZMPBSF-YTYCSIDQSA-N. The full InChI is InChI=1S/C21H32O2Si.C16H20O4.C14H28O2Si2.C12H18O4P.C4H10O/c1-19(15-11-17-21(22)23-3)13-9-7-8-10-14-20(2)16-12-18-24(4,5)6;1-3-9-14(17)10-6-4-5-7-11-15(18)12-8-13-16(19)20-2;1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6;1-11(8-6-9-12(13)15-2)7-4-3-5-10-16-17-14;1-3-5-4-2/h7-8,10,14,19-20H,11,15-17H2,1-6H3;1,4-6,10,14-15,17-18H,8-9,12-13H2,2H3;12-13H,10H2,1-8H3;3,5,11,17H,6,8-10H2,1-2H3;3-4H2,1-2H3/q;;;+1;/b8-7+,14-10+;5-4+,10-6+;;5-3+;/t19-,20-;14-,15+;;11-;/m01.0./s1.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate?

2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate has a molecular weight of 1236.82 g/mol, XLogP of 13.55, 27 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyethane;[(E,6R)-10-methoxy-6-methyl-10-oxodec-2-en-4-ynoxy]-oxophosphanium;methyl (5R,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate;methyl (5R,8E,10E,12R)-5,12-dimethyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate is sourced from PubChem (CID 123916661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).