tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane

C27H50O2Si2 — CID 139968519

IUPACtert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
SMILESC/C(CCO[Si](C)(C)C(C)(C)C)=C1\CC=C2C(CO[Si](C)(C)C(C)(C)C)=CCCC21C
InChIInChI=1S/C27H50O2Si2/c1-21(17-19-28-30(9,10)25(2,3)4)23-15-16-24-22(14-13-18-27(23,24)8)20-29-31(11,12)26(5,6)7/h14,16H,13,15,17-20H2,1-12H3/b23-21-
InChIKeyLOZWGEVYRNTUGB-LNVKXUELSA-N
MW462.87 g/mol
LogP8.79
Rot. Bonds7

About tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane (PubChem CID 139968519) has the molecular formula C27H50O2Si2 and a molecular weight of 462.87 g/mol. Its IUPAC name is tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
PubChem CID139968519
Molecular FormulaC27H50O2Si2
Molecular Weight462.87 g/mol
Exact Mass462.33
IUPAC Nametert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
SMILESC/C(CCO[Si](C)(C)C(C)(C)C)=C1\CC=C2C(CO[Si](C)(C)C(C)(C)C)=CCCC21C
InChIInChI=1S/C27H50O2Si2/c1-21(17-19-28-30(9,10)25(2,3)4)23-15-16-24-22(14-13-18-27(23,24)8)20-29-31(11,12)26(5,6)7/h14,16H,13,15,17-20H2,1-12H3/b23-21-
InChIKeyLOZWGEVYRNTUGB-LNVKXUELSA-N
XLogP8.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.87
LogP ≤ 58.79
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

[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
CID 134983644
[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 135002588
tert-butyl-[2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 135003639
[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane
CID 135014361
Cyclopentene, 3,3-dimethyl-4-methylene-1,2-bis(trimethylsilyloxymethyl)-
CID 553431
[3,3-Di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
CID 18622663
4,4-Di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane
CID 18622686
[2,2-Di(cyclopenta-1,3-dien-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane
CID 18622708
[2,2-Di(cyclopenta-1,3-dien-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
CID 18622720
tert-butyl-dimethyl-[(1S)-3,5,5-trimethyl-4-methylidenecyclohex-2-en-1-yl]oxysilane
CID 58692763
Trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride
CID 87936101
tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968514

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane (CID 139968519) is tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane is C/C(CCO[Si](C)(C)C(C)(C)C)=C1\CC=C2C(CO[Si](C)(C)C(C)(C)C)=CCCC21C.
What is the InChIKey of tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The InChIKey is LOZWGEVYRNTUGB-LNVKXUELSA-N. The full InChI is InChI=1S/C27H50O2Si2/c1-21(17-19-28-30(9,10)25(2,3)4)23-15-16-24-22(14-13-18-27(23,24)8)20-29-31(11,12)26(5,6)7/h14,16H,13,15,17-20H2,1-12H3/b23-21-.
What are the key properties of tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane has a molecular weight of 462.87 g/mol, XLogP of 8.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 139968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).