ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate

C31H40O3Si — CID 67718968

About ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate

ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate (PubChem CID 67718968) has the molecular formula C31H40O3Si and a molecular weight of 488.74 g/mol. Its IUPAC name is ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate
• PubChem CID: 67718968
• Molecular Formula: C31H40O3Si
• Molecular Weight: 488.74 g/mol
• Exact Mass: 488.27
• IUPAC Name: ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate
• SMILES: CCCC[Si](C)(C)O[C@@H]1CCC(C)(C)c2ccc(-c3ccc4cc(C(=O)OCC)ccc4c3)cc21
• InChI: InChI=1S/C31H40O3Si/c1-7-9-18-35(5,6)34-29-16-17-31(3,4)28-15-14-25(21-27(28)29)23-10-11-24-20-26(30(32)33-8-2)13-12-22(24)19-23/h10-15,19-21,29H,7-9,16-18H2,1-6H3/t29-/m1/s1
• InChIKey: WSFXOBXCVSZDAR-GDLZYMKVSA-N
• XLogP: 8.82
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.74
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate?

The IUPAC name of ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate (CID 67718968) is ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate.

What is the SMILES notation for ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate?

The canonical SMILES for ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate is CCCC[Si](C)(C)O[C@@H]1CCC(C)(C)c2ccc(-c3ccc4cc(C(=O)OCC)ccc4c3)cc21.

What is the InChIKey of ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate?

The InChIKey is WSFXOBXCVSZDAR-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H40O3Si/c1-7-9-18-35(5,6)34-29-16-17-31(3,4)28-15-14-25(21-27(28)29)23-10-11-24-20-26(30(32)33-8-2)13-12-22(24)19-23/h10-15,19-21,29H,7-9,16-18H2,1-6H3/t29-/m1/s1.

What are the key properties of ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate?

ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate has a molecular weight of 488.74 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[(8R)-8-[butyl(dimethyl)silyl]oxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 67718968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).