(4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one

C26H42O4Si — CID 134843160

About (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one

(4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one (PubChem CID 134843160) has the molecular formula C26H42O4Si and a molecular weight of 446.70 g/mol. Its IUPAC name is (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one.

Molecular Properties

• Compound Name: (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one
• PubChem CID: 134843160
• Molecular Formula: C26H42O4Si
• Molecular Weight: 446.70 g/mol
• Exact Mass: 446.29
• IUPAC Name: (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one
• SMILES: C=CC[C@@H](CC(=O)/C=C/C[C@@H](C)COCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H42O4Si/c1-9-11-25(30-31(7,8)26(3,4)5)18-23(27)13-10-12-21(2)19-29-20-22-14-16-24(28-6)17-15-22/h9-10,13-17,21,25H,1,11-12,18-20H2,2-8H3/b13-10+/t21-,25+/m1/s1
• InChIKey: LSZDNBGHAFASQU-CMSSDFPGSA-N
• XLogP: 6.72
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.70
LogP ≤ 5	6.72
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one?

The IUPAC name of (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one (CID 134843160) is (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one.

What is the SMILES notation for (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one?

The canonical SMILES for (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one is C=CC[C@@H](CC(=O)/C=C/C[C@@H](C)COCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one?

The InChIKey is LSZDNBGHAFASQU-CMSSDFPGSA-N. The full InChI is InChI=1S/C26H42O4Si/c1-9-11-25(30-31(7,8)26(3,4)5)18-23(27)13-10-12-21(2)19-29-20-22-14-16-24(28-6)17-15-22/h9-10,13-17,21,25H,1,11-12,18-20H2,2-8H3/b13-10+/t21-,25+/m1/s1.

What are the key properties of (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one?

(4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one has a molecular weight of 446.70 g/mol, XLogP of 6.72, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one is sourced from PubChem (CID 134843160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).