cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane

C22H36OSi — CID 22555725

IUPACcyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCOC1([Si](C)(C)C2=CCC=C2)CC=C(C(C)(C)C)C=C1C(C)(C)C
InChIInChI=1S/C22H36OSi/c1-20(2,3)17-14-15-22(23-7,19(16-17)21(4,5)6)24(8,9)18-12-10-11-13-18/h10,12-14,16H,11,15H2,1-9H3
InChIKeyUWDSVFIBHBBKHE-UHFFFAOYSA-N
MW344.62 g/mol
LogP6.39
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane

cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane (PubChem CID 22555725) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
PubChem CID22555725
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Namecyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCOC1([Si](C)(C)C2=CCC=C2)CC=C(C(C)(C)C)C=C1C(C)(C)C
InChIInChI=1S/C22H36OSi/c1-20(2,3)17-14-15-22(23-7,19(16-17)21(4,5)6)24(8,9)18-12-10-11-13-18/h10,12-14,16H,11,15H2,1-9H3
InChIKeyUWDSVFIBHBBKHE-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane (CID 22555725) is cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane is COC1([Si](C)(C)C2=CCC=C2)CC=C(C(C)(C)C)C=C1C(C)(C)C.
What is the InChIKey of cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is UWDSVFIBHBBKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36OSi/c1-20(2,3)17-14-15-22(23-7,19(16-17)21(4,5)6)24(8,9)18-12-10-11-13-18/h10,12-14,16H,11,15H2,1-9H3.
What are the key properties of cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 22555725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).