Decamethylsilicocene

C20H30Si — CID 14087351

IUPAC—
SMILESCC1=C(C)C(C)([Si]C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30Si/c1-11-12(2)16(6)19(9,15(11)5)21-20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyLLBUUNANYHWUKK-UHFFFAOYSA-N
MW298.55 g/mol
LogP6.42
Rot. Bonds2

About Decamethylsilicocene

Decamethylsilicocene (PubChem CID 14087351) has the molecular formula C20H30Si and a molecular weight of 298.55 g/mol.

Molecular Properties

Compound NameDecamethylsilicocene
PubChem CID14087351
Molecular FormulaC20H30Si
Molecular Weight298.55 g/mol
Exact Mass298.21
IUPAC Name—
SMILESCC1=C(C)C(C)([Si]C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30Si/c1-11-12(2)16(6)19(9,15(11)5)21-20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyLLBUUNANYHWUKK-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 56.42
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 Decamethylsilicocene?
The IUPAC name of Decamethylsilicocene (CID 14087351) is not available.
What is the SMILES notation for Decamethylsilicocene?
The canonical SMILES for Decamethylsilicocene is CC1=C(C)C(C)([Si]C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of Decamethylsilicocene?
The InChIKey is LLBUUNANYHWUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si/c1-11-12(2)16(6)19(9,15(11)5)21-20(10)17(7)13(3)14(4)18(20)8/h1-10H3.
What are the key properties of Decamethylsilicocene?
Decamethylsilicocene has a molecular weight of 298.55 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Decamethylsilicocene is sourced from PubChem (CID 14087351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).