bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane

C18H32O2Si — CID 23287453

IUPACbis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane
SMILESCCO[Si](OCC)(C1=C(C)C(C)CC1)C1=C(C)C(C)CC1
InChIInChI=1S/C18H32O2Si/c1-7-19-21(20-8-2,17-11-9-13(3)15(17)5)18-12-10-14(4)16(18)6/h13-14H,7-12H2,1-6H3
InChIKeyQIQSWUCCVDIGOF-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.07
Rot. Bonds6

About bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane

bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane (PubChem CID 23287453) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane.

Molecular Properties

Compound Namebis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane
PubChem CID23287453
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namebis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane
SMILESCCO[Si](OCC)(C1=C(C)C(C)CC1)C1=C(C)C(C)CC1
InChIInChI=1S/C18H32O2Si/c1-7-19-21(20-8-2,17-11-9-13(3)15(17)5)18-12-10-14(4)16(18)6/h13-14H,7-12H2,1-6H3
InChIKeyQIQSWUCCVDIGOF-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.07
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(2,3-dimethylcyclopenten-1-yl)-diethoxysilane?
The IUPAC name of bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane (CID 23287453) is bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane.
What is the SMILES notation for bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane?
The canonical SMILES for bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane is CCO[Si](OCC)(C1=C(C)C(C)CC1)C1=C(C)C(C)CC1.
What is the InChIKey of bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane?
The InChIKey is QIQSWUCCVDIGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-7-19-21(20-8-2,17-11-9-13(3)15(17)5)18-12-10-14(4)16(18)6/h13-14H,7-12H2,1-6H3.
What are the key properties of bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane?
bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane has a molecular weight of 308.54 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylcyclopenten-1-yl)-diethoxysilane is sourced from PubChem (CID 23287453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).