3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol

C30H50O6Si — CID 161115589

About 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol

3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol (PubChem CID 161115589) has the molecular formula C30H50O6Si and a molecular weight of 534.81 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol.

Molecular Properties

• Compound Name: 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol
• PubChem CID: 161115589
• Molecular Formula: C30H50O6Si
• Molecular Weight: 534.81 g/mol
• Exact Mass: 534.34
• IUPAC Name: 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol
• SMILES: CCC(O)(CC)c1ccc(O)c(OC)c1.CCC(O)(CC)c1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1
• InChI: InChI=1S/C18H32O3Si.C12H18O3/c1-9-18(19,10-2)14-11-12-15(16(13-14)20-6)21-22(7,8)17(3,4)5;1-4-12(14,5-2)9-6-7-10(13)11(8-9)15-3/h11-13,19H,9-10H2,1-8H3;6-8,13-14H,4-5H2,1-3H3
• InChIKey: UKGUOQSBILJYCU-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 88.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.81
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol?

The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol (CID 161115589) is 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol.

What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol?

The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol is CCC(O)(CC)c1ccc(O)c(OC)c1.CCC(O)(CC)c1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1.

What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol?

The InChIKey is UKGUOQSBILJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si.C12H18O3/c1-9-18(19,10-2)14-11-12-15(16(13-14)20-6)21-22(7,8)17(3,4)5;1-4-12(14,5-2)9-6-7-10(13)11(8-9)15-3/h11-13,19H,9-10H2,1-8H3;6-8,13-14H,4-5H2,1-3H3.

What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol?

3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol has a molecular weight of 534.81 g/mol, XLogP of 7.50, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol is sourced from PubChem (CID 161115589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).