(5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one

C19H38O2Si2 — CID 15828747

About (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one

(5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one (PubChem CID 15828747) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one.

Molecular Properties

• Compound Name: (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one
• PubChem CID: 15828747
• Molecular Formula: C19H38O2Si2
• Molecular Weight: 354.68 g/mol
• Exact Mass: 354.24
• IUPAC Name: (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one
• SMILES: CC(C)[C@H]1CC(=O)CC(O[Si](C)(C)C(C)(C)C)=C[C@@H]1[Si](C)(C)C
• InChI: InChI=1S/C19H38O2Si2/c1-14(2)17-12-15(20)11-16(13-18(17)22(6,7)8)21-23(9,10)19(3,4)5/h13-14,17-18H,11-12H2,1-10H3/t17-,18+/m1/s1
• InChIKey: HVRMXSOJHRMKHR-MSOLQXFVSA-N
• XLogP: 6.24
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.68
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one?

The IUPAC name of (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one (CID 15828747) is (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one.

What is the SMILES notation for (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one?

The canonical SMILES for (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one is CC(C)[C@H]1CC(=O)CC(O[Si](C)(C)C(C)(C)C)=C[C@@H]1[Si](C)(C)C.

What is the InChIKey of (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one?

The InChIKey is HVRMXSOJHRMKHR-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-14(2)17-12-15(20)11-16(13-18(17)22(6,7)8)21-23(9,10)19(3,4)5/h13-14,17-18H,11-12H2,1-10H3/t17-,18+/m1/s1.

What are the key properties of (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one?

(5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one has a molecular weight of 354.68 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yl-5-trimethylsilylcyclohept-3-en-1-one is sourced from PubChem (CID 15828747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).