CID 91298580

C21H23Si — CID 91298580

IUPAC—
SMILESCC1=C(C)C(C)C(C)=C1[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23Si/c1-15-16(2)18(4)21(17(15)3)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,1-4H3
InChIKeyGFNORVRLAVEWLS-UHFFFAOYSA-N
MW303.50 g/mol
LogP4.14
Rot. Bonds3

About CID 91298580

CID 91298580 (PubChem CID 91298580) has the molecular formula C21H23Si and a molecular weight of 303.50 g/mol.

Molecular Properties

Compound NameCID 91298580
PubChem CID91298580
Molecular FormulaC21H23Si
Molecular Weight303.50 g/mol
Exact Mass303.16
IUPAC Name—
SMILESCC1=C(C)C(C)C(C)=C1[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23Si/c1-15-16(2)18(4)21(17(15)3)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,1-4H3
InChIKeyGFNORVRLAVEWLS-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.14
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 CID 91298580?
The IUPAC name of CID 91298580 (CID 91298580) is not available.
What is the SMILES notation for CID 91298580?
The canonical SMILES for CID 91298580 is CC1=C(C)C(C)C(C)=C1[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 91298580?
The InChIKey is GFNORVRLAVEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Si/c1-15-16(2)18(4)21(17(15)3)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,1-4H3.
What are the key properties of CID 91298580?
CID 91298580 has a molecular weight of 303.50 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91298580 is sourced from PubChem (CID 91298580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).