but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane

C51H94O2Si2 — CID 159676390

IUPACbut-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane
SMILESC.C=CCC.CC(C)(C)C.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(c1ccccc1)c1ccccc1.CC1CCCCO1.CCOC.CCc1ccccc1
InChIInChI=1S/C17H22Si.C8H10.C7H18Si.C6H12O.C5H12.C4H8.C3H8O.CH4/c1-17(2,3)18(4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-2-8-6-4-3-5-7-8;1-7(2,3)8(4,5)6;1-6-4-2-3-5-7-6;1-5(2,3)4;2*1-3-4-2;/h5-14H,1-4H3;3-7H,2H2,1H3;1-6H3;6H,2-5H2,1H3;1-4H3;3H,1,4H2,2H3;3H2,1-2H3;1H4
InChIKeyMUQLWTKNORJSEE-UHFFFAOYSA-N
MW795.48 g/mol
LogP15.55
Rot. Bonds5

About but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane

but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane (PubChem CID 159676390) has the molecular formula C51H94O2Si2 and a molecular weight of 795.48 g/mol. Its IUPAC name is but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane.

Molecular Properties

Compound Namebut-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane
PubChem CID159676390
Molecular FormulaC51H94O2Si2
Molecular Weight795.48 g/mol
Exact Mass794.68
IUPAC Namebut-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane
SMILESC.C=CCC.CC(C)(C)C.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(c1ccccc1)c1ccccc1.CC1CCCCO1.CCOC.CCc1ccccc1
InChIInChI=1S/C17H22Si.C8H10.C7H18Si.C6H12O.C5H12.C4H8.C3H8O.CH4/c1-17(2,3)18(4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-2-8-6-4-3-5-7-8;1-7(2,3)8(4,5)6;1-6-4-2-3-5-7-6;1-5(2,3)4;2*1-3-4-2;/h5-14H,1-4H3;3-7H,2H2,1H3;1-6H3;6H,2-5H2,1H3;1-4H3;3H,1,4H2,2H3;3H2,1-2H3;1H4
InChIKeyMUQLWTKNORJSEE-UHFFFAOYSA-N
XLogP15.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.48
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethylbenzene;2-methyloxane
CID 159203752
tert-butyl-(4-ethylphenyl)-methyl-phenylsilane
CID 101087565
ethylbenzene;methoxyethane
CID 90842646
2-methyloxane;propane
CID 171074580
cumene;2-methyloxane
CID 156699052
ethylbenzene;methylcyclobutane
CID 176989756
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
bis(but-1-ene);bis(2-(methoxymethyl)oxirane);2-phenylpropan-2-ylbenzene
CID 158724996
tert-butyl (2S)-6-hydroxy-2-(phenylmethoxycarbonylamino)hexanoate;tert-butyl (2S)-2-(phenylmethoxycarbonylamino)hex-5-enoate;2-methyloxolane
CID 162219700
2-methyloxolane;toluene
CID 66810937
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
ethylbenzene;hexane;oxolane
CID 86585711

Frequently Asked Questions

What is the IUPAC name of but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane?
The IUPAC name of but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane (CID 159676390) is but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane.
What is the SMILES notation for but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane?
The canonical SMILES for but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane is C.C=CCC.CC(C)(C)C.CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(c1ccccc1)c1ccccc1.CC1CCCCO1.CCOC.CCc1ccccc1.
What is the InChIKey of but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane?
The InChIKey is MUQLWTKNORJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Si.C8H10.C7H18Si.C6H12O.C5H12.C4H8.C3H8O.CH4/c1-17(2,3)18(4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-2-8-6-4-3-5-7-8;1-7(2,3)8(4,5)6;1-6-4-2-3-5-7-6;1-5(2,3)4;2*1-3-4-2;/h5-14H,1-4H3;3-7H,2H2,1H3;1-6H3;6H,2-5H2,1H3;1-4H3;3H,1,4H2,2H3;3H2,1-2H3;1H4.
What are the key properties of but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane?
but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane has a molecular weight of 795.48 g/mol, XLogP of 15.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;tert-butyl-methyl-diphenylsilane;tert-butyl(trimethyl)silane;2,2-dimethylpropane;ethylbenzene;methane;methoxyethane;2-methyloxane is sourced from PubChem (CID 159676390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).