[5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol

C27H43NO4Si — CID 21334070

About [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol

[5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol (PubChem CID 21334070) has the molecular formula C27H43NO4Si and a molecular weight of 473.73 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol.

Molecular Properties

• Compound Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol
• PubChem CID: 21334070
• Molecular Formula: C27H43NO4Si
• Molecular Weight: 473.73 g/mol
• Exact Mass: 473.30
• IUPAC Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol
• SMILES: CC(C)c1nc2c(c(C3=CCC4(CC3)OCCO4)c1CO)C(O[Si](C)(C)C(C)(C)C)CCC2
• InChI: InChI=1S/C27H43NO4Si/c1-18(2)25-20(17-29)23(19-11-13-27(14-12-19)30-15-16-31-27)24-21(28-25)9-8-10-22(24)32-33(6,7)26(3,4)5/h11,18,22,29H,8-10,12-17H2,1-7H3
• InChIKey: FXNDOAHEOFMKHX-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 60.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.73
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol?

The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol (CID 21334070) is [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol.

What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol?

The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol is CC(C)c1nc2c(c(C3=CCC4(CC3)OCCO4)c1CO)C(O[Si](C)(C)C(C)(C)C)CCC2.

What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol?

The InChIKey is FXNDOAHEOFMKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO4Si/c1-18(2)25-20(17-29)23(19-11-13-27(14-12-19)30-15-16-31-27)24-21(28-25)9-8-10-22(24)32-33(6,7)26(3,4)5/h11,18,22,29H,8-10,12-17H2,1-7H3.

What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol?

[5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol has a molecular weight of 473.73 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[tert-butyl(dimethyl)silyl]oxy-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol is sourced from PubChem (CID 21334070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).