[2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane

C23H44Si4 — CID 101081148

IUPAC[2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CC(C2C=CC=C2)=C([Si](C)(C)C)C([Si](C)(C)C)C1[Si](C)(C)C
InChIInChI=1S/C23H44Si4/c1-24(2,3)20-17-19(18-15-13-14-16-18)21(25(4,5)6)23(27(10,11)12)22(20)26(7,8)9/h13-18,22-23H,1-12H3
InChIKeyXFRPFWYGCWHFLJ-UHFFFAOYSA-N
MW432.95 g/mol
LogP8.14
Rot. Bonds5

About [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane

[2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane (PubChem CID 101081148) has the molecular formula C23H44Si4 and a molecular weight of 432.95 g/mol. Its IUPAC name is [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane
PubChem CID101081148
Molecular FormulaC23H44Si4
Molecular Weight432.95 g/mol
Exact Mass432.25
IUPAC Name[2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CC(C2C=CC=C2)=C([Si](C)(C)C)C([Si](C)(C)C)C1[Si](C)(C)C
InChIInChI=1S/C23H44Si4/c1-24(2,3)20-17-19(18-15-13-14-16-18)21(25(4,5)6)23(27(10,11)12)22(20)26(7,8)9/h13-18,22-23H,1-12H3
InChIKeyXFRPFWYGCWHFLJ-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(2-trimethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 11987086
trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane
CID 139054439
trimethyl-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)silane
CID 71362852
(5-tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 134888747
trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane
CID 11586488
3-cyclohepta-2,4,6-trien-1-yl-4H-1,2,4-oxadiazol-5-one
CID 143886596
2-cyclopenta-2,4-dien-1-yl-4,6-dimethylpyrimidine
CID 102480724
(1S,2R)-3,4-bis(trimethylsilyl)cyclobut-3-ene-1,2-diol
CID 101353353
dimethyl-bis(2-methyl-3aH-inden-1-yl)silane
CID 20725133
3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane
CID 20609618
bis(3aH-inden-1-yl)-(2,5-dimethoxyphenyl)-methylsilane
CID 154079895
9aH-benzo[7]annulen-5-ylmethanamine
CID 88809253

Frequently Asked Questions

What is the IUPAC name of [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane?
The IUPAC name of [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane (CID 101081148) is [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane?
The canonical SMILES for [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane is C[Si](C)(C)C1=CC(C2C=CC=C2)=C([Si](C)(C)C)C([Si](C)(C)C)C1[Si](C)(C)C.
What is the InChIKey of [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane?
The InChIKey is XFRPFWYGCWHFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44Si4/c1-24(2,3)20-17-19(18-15-13-14-16-18)21(25(4,5)6)23(27(10,11)12)22(20)26(7,8)9/h13-18,22-23H,1-12H3.
What are the key properties of [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane?
[2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane has a molecular weight of 432.95 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 101081148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).