2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol

C17H34O3Si3 — CID 89465146

IUPAC2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol
SMILESCC(Cc1ccccc1O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si3/c1-15(13-16-11-9-10-12-17(16)18)14-23(8,19-21(2,3)4)20-22(5,6)7/h9-12,15,18H,13-14H2,1-8H3
InChIKeyYXLJRWGEAJTXOQ-UHFFFAOYSA-N
MW370.71 g/mol
LogP5.35
Rot. Bonds8

About 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol

2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol (PubChem CID 89465146) has the molecular formula C17H34O3Si3 and a molecular weight of 370.71 g/mol. Its IUPAC name is 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol.

Molecular Properties

Compound Name2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol
PubChem CID89465146
Molecular FormulaC17H34O3Si3
Molecular Weight370.71 g/mol
Exact Mass370.18
IUPAC Name2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol
SMILESCC(Cc1ccccc1O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si3/c1-15(13-16-11-9-10-12-17(16)18)14-23(8,19-21(2,3)4)20-22(5,6)7/h9-12,15,18H,13-14H2,1-8H3
InChIKeyYXLJRWGEAJTXOQ-UHFFFAOYSA-N
XLogP5.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol?
The IUPAC name of 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol (CID 89465146) is 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol.
What is the SMILES notation for 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol?
The canonical SMILES for 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol is CC(Cc1ccccc1O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol?
The InChIKey is YXLJRWGEAJTXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si3/c1-15(13-16-11-9-10-12-17(16)18)14-23(8,19-21(2,3)4)20-22(5,6)7/h9-12,15,18H,13-14H2,1-8H3.
What are the key properties of 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol?
2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol has a molecular weight of 370.71 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol is sourced from PubChem (CID 89465146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).