1,1,1,3,5,5,5-Heptamethyl-3-phenyltrisiloxane

C₁₃H₂₆O₂Si₃CAS 546-44-1298.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₆O₂Si₃
Molar mass: 298.60 g/mol
Exact mass: 298.1241 Da
Density: 0.91 g/mL
Melting point: −56 °C
Boiling point: 95 °C (at 5 Torr)
logP: 3.67Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

546-44-1

SMILES

C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1ccccc1

InChIKey

FNATTZRLLOIKNY-UHFFFAOYSA-N

InChI

InChI=1S/C13H26O2Si3/c1-16(2,3)14-18(7,15-17(4,5)6)13-11-9-8-10-12-13/h8-12H,1-7H3

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Names and synonyms

4 names

Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-3-phenyl-
Methylphenylbis(trimethylsiloxy)silane
Bis(trimethylsiloxy)(methyl)phenylsilane
3-Phenylheptamethyltrisiloxane

Work with 1,1,1,3,5,5,5-Heptamethyl-3-phenyltrisiloxane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6,8-Tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane77-63-477 % similar Trimethylpentaphenyltrisiloxane3390-61-265 % similar Phenyltris(trimethylsiloxy)silane2116-84-964 % similar (Dimethoxymethylsilyl)benzene3027-21-258 % similar (Diethoxymethylsilyl)benzene775-56-452 % similar 1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane56-33-750 % similar Dc 7043982-82-945 % similar Trimethylphenoxysilane1529-17-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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