[4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate

C20H32O4Si — CID 19690238

IUPAC[4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate
SMILESCC(C)(C)CC1(C(=O)OC(C)(C)CC[Si](C)(C)c2ccccc2)OO1
InChIInChI=1S/C20H32O4Si/c1-18(2,3)15-20(23-24-20)17(21)22-19(4,5)13-14-25(6,7)16-11-9-8-10-12-16/h8-12H,13-15H2,1-7H3
InChIKeyCFYCZACGVRQZAC-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.41
Rot. Bonds7

About [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate

[4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate (PubChem CID 19690238) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate.

Molecular Properties

Compound Name[4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate
PubChem CID19690238
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Name[4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate
SMILESCC(C)(C)CC1(C(=O)OC(C)(C)CC[Si](C)(C)c2ccccc2)OO1
InChIInChI=1S/C20H32O4Si/c1-18(2,3)15-20(23-24-20)17(21)22-19(4,5)13-14-25(6,7)16-11-9-8-10-12-16/h8-12H,13-15H2,1-7H3
InChIKeyCFYCZACGVRQZAC-UHFFFAOYSA-N
XLogP4.41
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[dimethyl(phenyl)silyl]-2-methylbutan-2-ol
CID 14066704
4-[dimethyl(phenyl)silyl]-2-phenylbutan-2-ol
CID 101386351
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
2-methoxyethyl-dimethyl-phenylsilane
CID 123175505
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate
CID 10021049
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
CID 102153241
tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
CID 44552230
2-[bis[2-[dimethyl(phenyl)silyl]ethyl]silyl]ethyl-dimethyl-phenylsilane
CID 71420690
4-[dimethyl(phenyl)silyl]but-2-yn-1-ol
CID 11820256
ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 171623839

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate?
The IUPAC name of [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate (CID 19690238) is [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate.
What is the SMILES notation for [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate?
The canonical SMILES for [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate is CC(C)(C)CC1(C(=O)OC(C)(C)CC[Si](C)(C)c2ccccc2)OO1.
What is the InChIKey of [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate?
The InChIKey is CFYCZACGVRQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-18(2,3)15-20(23-24-20)17(21)22-19(4,5)13-14-25(6,7)16-11-9-8-10-12-16/h8-12H,13-15H2,1-7H3.
What are the key properties of [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate?
[4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate has a molecular weight of 364.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(phenyl)silyl]-2-methylbutan-2-yl] 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate is sourced from PubChem (CID 19690238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).