bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane

C18H28O2Si — CID 139699566

IUPACbis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane
SMILESCCO[Si](OCC)(C1C=C(C)C(C)=C1)C1C=C(C)C(C)=C1
InChIInChI=1S/C18H28O2Si/c1-7-19-21(20-8-2,17-9-13(3)14(4)10-17)18-11-15(5)16(6)12-18/h9-12,17-18H,7-8H2,1-6H3
InChIKeyKDCWXOHIIXDQNW-UHFFFAOYSA-N
MW304.51 g/mol
LogP5.05
Rot. Bonds6

About bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane

bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane (PubChem CID 139699566) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane.

Molecular Properties

Compound Namebis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane
PubChem CID139699566
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Namebis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane
SMILESCCO[Si](OCC)(C1C=C(C)C(C)=C1)C1C=C(C)C(C)=C1
InChIInChI=1S/C18H28O2Si/c1-7-19-21(20-8-2,17-9-13(3)14(4)10-17)18-11-15(5)16(6)12-18/h9-12,17-18H,7-8H2,1-6H3
InChIKeyKDCWXOHIIXDQNW-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane?
The IUPAC name of bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane (CID 139699566) is bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane.
What is the SMILES notation for bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane?
The canonical SMILES for bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane is CCO[Si](OCC)(C1C=C(C)C(C)=C1)C1C=C(C)C(C)=C1.
What is the InChIKey of bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane?
The InChIKey is KDCWXOHIIXDQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-7-19-21(20-8-2,17-9-13(3)14(4)10-17)18-11-15(5)16(6)12-18/h9-12,17-18H,7-8H2,1-6H3.
What are the key properties of bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane?
bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane has a molecular weight of 304.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diethoxysilane is sourced from PubChem (CID 139699566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).