trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate

C26H50O4Si2 — CID 10390540

About trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate

trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate (PubChem CID 10390540) has the molecular formula C26H50O4Si2 and a molecular weight of 482.85 g/mol. Its IUPAC name is trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate.

Molecular Properties

• Compound Name: trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate
• PubChem CID: 10390540
• Molecular Formula: C26H50O4Si2
• Molecular Weight: 482.85 g/mol
• Exact Mass: 482.32
• IUPAC Name: trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate
• SMILES: C=C(CC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@@H](C)C(=O)O[Si](C)(C)C
• InChI: InChI=1S/C26H50O4Si2/c1-15-19(3)24(29-32(13,14)26(7,8)9)22(6)23(27)20(4)16-18(2)17-21(5)25(28)30-31(10,11)12/h16,20-22,24H,3,15,17H2,1-2,4-14H3/b18-16+/t20-,21-,22-,24-/m1/s1
• InChIKey: LVNVARZRXKBGKV-SOVANUSYSA-N
• XLogP: 7.53
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.85
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate?

The IUPAC name of trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate (CID 10390540) is trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate.

What is the SMILES notation for trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate?

The canonical SMILES for trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate is C=C(CC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@@H](C)C(=O)O[Si](C)(C)C.

What is the InChIKey of trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate?

The InChIKey is LVNVARZRXKBGKV-SOVANUSYSA-N. The full InChI is InChI=1S/C26H50O4Si2/c1-15-19(3)24(29-32(13,14)26(7,8)9)22(6)23(27)20(4)16-18(2)17-21(5)25(28)30-31(10,11)12/h16,20-22,24H,3,15,17H2,1-2,4-14H3/b18-16+/t20-,21-,22-,24-/m1/s1.

What are the key properties of trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate?

trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate has a molecular weight of 482.85 g/mol, XLogP of 7.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate is sourced from PubChem (CID 10390540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).