[5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane

C22H36Si2 — CID 56976703

IUPAC[5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CC=C([Si](C)(C)C)C1C1=C(C2CCCCC2)C=CC1
InChIInChI=1S/C22H36Si2/c1-23(2,3)20-15-16-21(24(4,5)6)22(20)19-14-10-13-18(19)17-11-8-7-9-12-17/h10,13,15-17,22H,7-9,11-12,14H2,1-6H3
InChIKeyNFDRESHQMUFTFD-UHFFFAOYSA-N
MW356.70 g/mol
LogP7.06
Rot. Bonds4

About [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane

[5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane (PubChem CID 56976703) has the molecular formula C22H36Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane
PubChem CID56976703
Molecular FormulaC22H36Si2
Molecular Weight356.70 g/mol
Exact Mass356.24
IUPAC Name[5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CC=C([Si](C)(C)C)C1C1=C(C2CCCCC2)C=CC1
InChIInChI=1S/C22H36Si2/c1-23(2,3)20-15-16-21(24(4,5)6)22(20)19-14-10-13-18(19)17-11-8-7-9-12-17/h10,13,15-17,22H,7-9,11-12,14H2,1-6H3
InChIKeyNFDRESHQMUFTFD-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane?
The IUPAC name of [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane (CID 56976703) is [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane?
The canonical SMILES for [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane is C[Si](C)(C)C1=CC=C([Si](C)(C)C)C1C1=C(C2CCCCC2)C=CC1.
What is the InChIKey of [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane?
The InChIKey is NFDRESHQMUFTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Si2/c1-23(2,3)20-15-16-21(24(4,5)6)22(20)19-14-10-13-18(19)17-11-8-7-9-12-17/h10,13,15-17,22H,7-9,11-12,14H2,1-6H3.
What are the key properties of [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane?
[5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane has a molecular weight of 356.70 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-4-trimethylsilylcyclopenta-1,3-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 56976703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).