cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane

C15H22OSi — CID 22555478

IUPACcyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCOC1([Si](C)(C)C2=CCC=C2)CC=CC=C1C
InChIInChI=1S/C15H22OSi/c1-13-9-7-8-12-15(13,16-2)17(3,4)14-10-5-6-11-14/h5,7-11H,6,12H2,1-4H3
InChIKeyDKMDIKGUDZTMBL-UHFFFAOYSA-N
MW246.43 g/mol
LogP3.95
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane

cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane (PubChem CID 22555478) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane
PubChem CID22555478
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Namecyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCOC1([Si](C)(C)C2=CCC=C2)CC=CC=C1C
InChIInChI=1S/C15H22OSi/c1-13-9-7-8-12-15(13,16-2)17(3,4)14-10-5-6-11-14/h5,7-11H,6,12H2,1-4H3
InChIKeyDKMDIKGUDZTMBL-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[2-(1-Methoxyethyl)cyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 18766820
Cyclopenta-1,3-dien-1-yl-dimethyl-[2-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-yl]silane
CID 70015343
(1-Butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
CID 70017508
(2-Tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
CID 70017602
Cyclopenta-1,4-dien-1-yl-dimethyl-[2-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-yl]silane;titanium(3+);dichloride
CID 87975800
Cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-propan-2-yloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride
CID 87975849
Cyclopenta-1,4-dien-1-yl-(1-ethoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87975893
Cyclopenta-1,4-dien-1-yl-(1-ethoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87975900
Cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87975953
Cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
CID 87976234

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane (CID 22555478) is cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane is COC1([Si](C)(C)C2=CCC=C2)CC=CC=C1C.
What is the InChIKey of cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is DKMDIKGUDZTMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-13-9-7-8-12-15(13,16-2)17(3,4)14-10-5-6-11-14/h5,7-11H,6,12H2,1-4H3.
What are the key properties of cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane?
cyclopenta-1,4-dien-1-yl-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 246.43 g/mol, XLogP of 3.95, 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-(1-methoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 22555478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).