(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)

C43H84O7Si3V2 — CID 157292220

About (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)

(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium) (PubChem CID 157292220) has the molecular formula C43H84O7Si3V2 and a molecular weight of 899.28 g/mol. Its IUPAC name is (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium).

Molecular Properties

• Compound Name: (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)
• PubChem CID: 157292220
• Molecular Formula: C43H84O7Si3V2
• Molecular Weight: 899.28 g/mol
• Exact Mass: 898.44
• IUPAC Name: (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)
• SMILES: C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O.C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)CC=C(C)C.C=CC(C)=C(C)O[Si](C)(C)C.O=C=O.[V].[V]
• InChI: InChI=1S/C19H38O2Si.C14H28O2Si.C9H18OSi.CO2.2V/c1-11-15(4)18(21-22(9,10)19(6,7)8)16(5)17(20)13-12-14(2)3;1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6;1-7-8(2)9(3)10-11(4,5)6;2-1-3;;/h11-12,16-18,20H,13H2,1-10H3;9-10,12-13H,1-8H3;7H,1H2,2-6H3;;;/b15-11+;11-9+;;;;/t16-,17-,18-;12-,13-;;;;/m11..../s1
• InChIKey: JKGRUUXIADOQCT-NXEJEWSWSA-N
• XLogP: 12.60
• TPSA: 99.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.28
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)?

The IUPAC name of (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium) (CID 157292220) is (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium).

What is the SMILES notation for (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)?

The canonical SMILES for (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium) is C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O.C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O)CC=C(C)C.C=CC(C)=C(C)O[Si](C)(C)C.O=C=O.[V].[V].

What is the InChIKey of (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)?

The InChIKey is JKGRUUXIADOQCT-NXEJEWSWSA-N. The full InChI is InChI=1S/C19H38O2Si.C14H28O2Si.C9H18OSi.CO2.2V/c1-11-15(4)18(21-22(9,10)19(6,7)8)16(5)17(20)13-12-14(2)3;1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6;1-7-8(2)9(3)10-11(4,5)6;2-1-3;;/h11-12,16-18,20H,13H2,1-10H3;9-10,12-13H,1-8H3;7H,1H2,2-6H3;;;/b15-11+;11-9+;;;;/t16-,17-,18-;12-,13-;;;;/m11..../s1.

What are the key properties of (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium)?

(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium) has a molecular weight of 899.28 g/mol, XLogP of 12.60, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal;(5R,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol;carbon dioxide;trimethyl(3-methylpenta-2,4-dien-2-yloxy)silane;bis(vanadium) is sourced from PubChem (CID 157292220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).