3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane

C35H60O3Si2 — CID 157088552

About 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane

3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane (PubChem CID 157088552) has the molecular formula C35H60O3Si2 and a molecular weight of 585.03 g/mol. Its IUPAC name is 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane.

Molecular Properties

• Compound Name: 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
• PubChem CID: 157088552
• Molecular Formula: C35H60O3Si2
• Molecular Weight: 585.03 g/mol
• Exact Mass: 584.41
• IUPAC Name: 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
• SMILES: CC(C)[SiH](c1cccc(CCCO)c1)C(C)C.CC(C)[SiH](c1cccc(CCCOC2CCCCO2)c1)C(C)C
• InChI: InChI=1S/C20H34O2Si.C15H26OSi/c1-16(2)23(17(3)4)19-11-7-9-18(15-19)10-8-14-22-20-12-5-6-13-21-20;1-12(2)17(13(3)4)15-9-5-7-14(11-15)8-6-10-16/h7,9,11,15-17,20,23H,5-6,8,10,12-14H2,1-4H3;5,7,9,11-13,16-17H,6,8,10H2,1-4H3
• InChIKey: AEJPAJCPODUPQV-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.03
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane?

The IUPAC name of 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane (CID 157088552) is 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane.

What is the SMILES notation for 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane?

The canonical SMILES for 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane is CC(C)[SiH](c1cccc(CCCO)c1)C(C)C.CC(C)[SiH](c1cccc(CCCOC2CCCCO2)c1)C(C)C.

What is the InChIKey of 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane?

The InChIKey is AEJPAJCPODUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si.C15H26OSi/c1-16(2)23(17(3)4)19-11-7-9-18(15-19)10-8-14-22-20-12-5-6-13-21-20;1-12(2)17(13(3)4)15-9-5-7-14(11-15)8-6-10-16/h7,9,11,15-17,20,23H,5-6,8,10,12-14H2,1-4H3;5,7,9,11-13,16-17H,6,8,10H2,1-4H3.

What are the key properties of 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane?

3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane has a molecular weight of 585.03 g/mol, XLogP of 7.28, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane is sourced from PubChem (CID 157088552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).