2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol

C20H34O3Si3 — CID 23541393

IUPAC2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol
SMILESC[Si](C)(C)O[Si](C)(CCCc1ccc2ccccc2c1O)O[Si](C)(C)C
InChIInChI=1S/C20H34O3Si3/c1-24(2,3)22-26(7,23-25(4,5)6)16-10-12-18-15-14-17-11-8-9-13-19(17)20(18)21/h8-9,11,13-15,21H,10,12,16H2,1-7H3
InChIKeyYEYBQMCGBGXCPJ-UHFFFAOYSA-N
MW406.75 g/mol
LogP6.25
Rot. Bonds8

About 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol

2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol (PubChem CID 23541393) has the molecular formula C20H34O3Si3 and a molecular weight of 406.75 g/mol. Its IUPAC name is 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol
PubChem CID23541393
Molecular FormulaC20H34O3Si3
Molecular Weight406.75 g/mol
Exact Mass406.18
IUPAC Name2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol
SMILESC[Si](C)(C)O[Si](C)(CCCc1ccc2ccccc2c1O)O[Si](C)(C)C
InChIInChI=1S/C20H34O3Si3/c1-24(2,3)22-26(7,23-25(4,5)6)16-10-12-18-15-14-17-11-8-9-13-19(17)20(18)21/h8-9,11,13-15,21H,10,12,16H2,1-7H3
InChIKeyYEYBQMCGBGXCPJ-UHFFFAOYSA-N
XLogP6.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.75
LogP ≤ 56.25
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-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol?
The IUPAC name of 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol (CID 23541393) is 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol.
What is the SMILES notation for 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol?
The canonical SMILES for 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol is C[Si](C)(C)O[Si](C)(CCCc1ccc2ccccc2c1O)O[Si](C)(C)C.
What is the InChIKey of 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol?
The InChIKey is YEYBQMCGBGXCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si3/c1-24(2,3)22-26(7,23-25(4,5)6)16-10-12-18-15-14-17-11-8-9-13-19(17)20(18)21/h8-9,11,13-15,21H,10,12,16H2,1-7H3.
What are the key properties of 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol?
2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol has a molecular weight of 406.75 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]naphthalen-1-ol is sourced from PubChem (CID 23541393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).