bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane

C18H28Si — CID 18450423

IUPACbis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCCC1=C([Si](C)(C)C2=C(CC)C(C)=CC2)CC=C1C
InChIInChI=1S/C18H28Si/c1-7-15-13(3)9-11-17(15)19(5,6)18-12-10-14(4)16(18)8-2/h9-10H,7-8,11-12H2,1-6H3
InChIKeyRVTXLENASVETIC-UHFFFAOYSA-N
MW272.51 g/mol
LogP5.89
Rot. Bonds4

About bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane

bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane (PubChem CID 18450423) has the molecular formula C18H28Si and a molecular weight of 272.51 g/mol. Its IUPAC name is bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
PubChem CID18450423
Molecular FormulaC18H28Si
Molecular Weight272.51 g/mol
Exact Mass272.20
IUPAC Namebis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCCC1=C([Si](C)(C)C2=C(CC)C(C)=CC2)CC=C1C
InChIInChI=1S/C18H28Si/c1-7-15-13(3)9-11-17(15)19(5,6)18-12-10-14(4)16(18)8-2/h9-10H,7-8,11-12H2,1-6H3
InChIKeyRVTXLENASVETIC-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.51
LogP ≤ 55.89
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 bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane (CID 18450423) is bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane is CCC1=C([Si](C)(C)C2=C(CC)C(C)=CC2)CC=C1C.
What is the InChIKey of bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The InChIKey is RVTXLENASVETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Si/c1-7-15-13(3)9-11-17(15)19(5,6)18-12-10-14(4)16(18)8-2/h9-10H,7-8,11-12H2,1-6H3.
What are the key properties of bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane has a molecular weight of 272.51 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 18450423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).