[1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane

C24H34OSi2 — CID 101213388

IUPAC[1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane
SMILESC=CCC(O[Si](C)(C)c1ccccc1)(C1CCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H34OSi2/c1-6-20-24(21-14-13-15-21,26(2,3)22-16-9-7-10-17-22)25-27(4,5)23-18-11-8-12-19-23/h6-12,16-19,21H,1,13-15,20H2,2-5H3
InChIKeyLJRWSZVAMMGGSO-UHFFFAOYSA-N
MW394.71 g/mol
LogP5.39
Rot. Bonds8

About [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane

[1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane (PubChem CID 101213388) has the molecular formula C24H34OSi2 and a molecular weight of 394.71 g/mol. Its IUPAC name is [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane
PubChem CID101213388
Molecular FormulaC24H34OSi2
Molecular Weight394.71 g/mol
Exact Mass394.21
IUPAC Name[1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane
SMILESC=CCC(O[Si](C)(C)c1ccccc1)(C1CCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H34OSi2/c1-6-20-24(21-14-13-15-21,26(2,3)22-16-9-7-10-17-22)25-27(4,5)23-18-11-8-12-19-23/h6-12,16-19,21H,1,13-15,20H2,2-5H3
InChIKeyLJRWSZVAMMGGSO-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.71
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-[dimethyl(phenyl)silyl]oxycyclopentan-1-ol
CID 10633593
1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine
CID 101362394
(1S)-1-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-1-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 10892816
(1-bromo-2-methylpropan-2-yl)oxy-dimethyl-phenylsilane
CID 67245137
2-cyclobutyl-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 101208199
[dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate
CID 71386975
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
cyclobutyloxy-ethenyl-diphenylsilane
CID 600050
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane
CID 102005829
2,3-dideuterioprop-2-enoxy-dimethyl-phenylsilane
CID 100972066
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831

Frequently Asked Questions

What is the IUPAC name of [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane?
The IUPAC name of [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane (CID 101213388) is [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane.
What is the SMILES notation for [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane?
The canonical SMILES for [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane is C=CCC(O[Si](C)(C)c1ccccc1)(C1CCC1)[Si](C)(C)c1ccccc1.
What is the InChIKey of [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane?
The InChIKey is LJRWSZVAMMGGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34OSi2/c1-6-20-24(21-14-13-15-21,26(2,3)22-16-9-7-10-17-22)25-27(4,5)23-18-11-8-12-19-23/h6-12,16-19,21H,1,13-15,20H2,2-5H3.
What are the key properties of [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane?
[1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane has a molecular weight of 394.71 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane is sourced from PubChem (CID 101213388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).