tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane

C21H38Si2 — CID 159894775

IUPACtert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane
SMILESC=C1C([Si](C)(C)C(C)(C)C)=C2CCCC2=C1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38Si2/c1-15-18(22(8,9)20(2,3)4)16-13-12-14-17(16)19(15)23(10,11)21(5,6)7/h1,12-14H2,2-11H3
InChIKeyYFZUFXLEIJADOV-UHFFFAOYSA-N
MW346.71 g/mol
LogP7.43
Rot. Bonds2

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane

tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane (PubChem CID 159894775) has the molecular formula C21H38Si2 and a molecular weight of 346.71 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane
PubChem CID159894775
Molecular FormulaC21H38Si2
Molecular Weight346.71 g/mol
Exact Mass346.25
IUPAC Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane
SMILESC=C1C([Si](C)(C)C(C)(C)C)=C2CCCC2=C1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38Si2/c1-15-18(22(8,9)20(2,3)4)16-13-12-14-17(16)19(15)23(10,11)21(5,6)7/h1,12-14H2,2-11H3
InChIKeyYFZUFXLEIJADOV-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.71
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane with MolForge

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Related Compounds

1,1,2,2-Tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane
CID 15327904
Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 601539
2,3-Bis(trimethylsilyl)norbornadiene
CID 129696947
Bicyclo[3.3.0]octa-1,4-diene, 3-isobutenyl-2,3-bis(trimethylsilyl)-
CID 553792
Trimethyl-[5-[2-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)ethyl]cyclopenta-1,4-dien-1-yl]silane
CID 17775331
Trimethyl-[5-[(5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]silane
CID 17775362
Dimethyl-bis[(3-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]silane
CID 19023875
(2-Cyclopenta-1,3-dien-1-yl-5-trimethylsilylpentalen-1-yl)-trimethylsilane
CID 57140253
1,1,2-Tributyl-3,4-dimethylsilole
CID 68815519
Tri(propan-2-yl)-[4-tri(propan-2-yl)silylpentalen-1-yl]silane
CID 85742602
Bis(2-ethyl-3,5-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 139667900
Tri(propan-2-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 140220420

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane (CID 159894775) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane is C=C1C([Si](C)(C)C(C)(C)C)=C2CCCC2=C1[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane?
The InChIKey is YFZUFXLEIJADOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38Si2/c1-15-18(22(8,9)20(2,3)4)16-13-12-14-17(16)19(15)23(10,11)21(5,6)7/h1,12-14H2,2-11H3.
What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane?
tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane has a molecular weight of 346.71 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(dimethyl)silyl]-2-methylidene-5,6-dihydro-4H-pentalen-1-yl]-dimethylsilane is sourced from PubChem (CID 159894775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).