(7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one

C21H40O2Si — CID 11428133

About (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one

(7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one (PubChem CID 11428133) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one.

Molecular Properties

• Compound Name: (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one
• PubChem CID: 11428133
• Molecular Formula: C21H40O2Si
• Molecular Weight: 352.64 g/mol
• Exact Mass: 352.28
• IUPAC Name: (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one
• SMILES: C=CCCC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC=C)C(C)C
• InChI: InChI=1S/C21H40O2Si/c1-10-12-14-18(22)16-20(19(17(3)4)15-13-11-2)23-24(8,9)21(5,6)7/h10-11,17,19-20H,1-2,12-16H2,3-9H3/t19-,20-/m0/s1
• InChIKey: WPUBVZCLXUMARE-PMACEKPBSA-N
• XLogP: 6.54
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.64
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one?

The IUPAC name of (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one (CID 11428133) is (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one.

What is the SMILES notation for (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one?

The canonical SMILES for (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one is C=CCCC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC=C)C(C)C.

What is the InChIKey of (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one?

The InChIKey is WPUBVZCLXUMARE-PMACEKPBSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-10-12-14-18(22)16-20(19(17(3)4)15-13-11-2)23-24(8,9)21(5,6)7/h10-11,17,19-20H,1-2,12-16H2,3-9H3/t19-,20-/m0/s1.

What are the key properties of (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one?

(7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one has a molecular weight of 352.64 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-propan-2-yldodeca-1,11-dien-5-one is sourced from PubChem (CID 11428133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).