(3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane

C43H58O3Si2 — CID 157329912

About (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane

(3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane (PubChem CID 157329912) has the molecular formula C43H58O3Si2 and a molecular weight of 679.11 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane.

Molecular Properties

• Compound Name: (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane
• PubChem CID: 157329912
• Molecular Formula: C43H58O3Si2
• Molecular Weight: 679.11 g/mol
• Exact Mass: 678.39
• IUPAC Name: (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane
• SMILES: C=C(C)[C@@H](CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=O
• InChI: InChI=1S/C22H30OSi.C21H28O2Si/c1-7-21(18(2)3)23-24(22(4,5)6,19-14-10-8-11-15-19)20-16-12-9-13-17-20;1-6-20(17(2)22)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h8-17,21H,2,7H2,1,3-6H3;7-16,20H,6H2,1-5H3/t21-;20-/m11/s1
• InChIKey: BFDYNXAKZUYGHS-NWORTSARSA-N
• XLogP: 8.85
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.11
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane?

The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane (CID 157329912) is (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane.

What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane?

The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane is C=C(C)[C@@H](CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=O.

What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane?

The InChIKey is BFDYNXAKZUYGHS-NWORTSARSA-N. The full InChI is InChI=1S/C22H30OSi.C21H28O2Si/c1-7-21(18(2)3)23-24(22(4,5)6,19-14-10-8-11-15-19)20-16-12-9-13-17-20;1-6-20(17(2)22)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h8-17,21H,2,7H2,1,3-6H3;7-16,20H,6H2,1-5H3/t21-;20-/m11/s1.

What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane?

(3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane has a molecular weight of 679.11 g/mol, XLogP of 8.85, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 157329912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).