CID 173187186

C21H21Si — CID 173187186

IUPAC—
SMILESCC1=C(C2c3ccccc3-c3ccc([Si](C)C)cc32)CC=C1
InChIInChI=1S/C21H21Si/c1-14-7-6-10-16(14)21-19-9-5-4-8-17(19)18-12-11-15(22(2)3)13-20(18)21/h4-9,11-13,21H,10H2,1-3H3
InChIKeyXMIDUDNSVKQGAJ-UHFFFAOYSA-N
MW301.49 g/mol
LogP5.04
Rot. Bonds2

About CID 173187186

CID 173187186 (PubChem CID 173187186) has the molecular formula C21H21Si and a molecular weight of 301.49 g/mol.

Molecular Properties

Compound NameCID 173187186
PubChem CID173187186
Molecular FormulaC21H21Si
Molecular Weight301.49 g/mol
Exact Mass301.14
IUPAC Name—
SMILESCC1=C(C2c3ccccc3-c3ccc([Si](C)C)cc32)CC=C1
InChIInChI=1S/C21H21Si/c1-14-7-6-10-16(14)21-19-9-5-4-8-17(19)18-12-11-15(22(2)3)13-20(18)21/h4-9,11-13,21H,10H2,1-3H3
InChIKeyXMIDUDNSVKQGAJ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.49
LogP ≤ 55.04
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 173187186?
The IUPAC name of CID 173187186 (CID 173187186) is not available.
What is the SMILES notation for CID 173187186?
The canonical SMILES for CID 173187186 is CC1=C(C2c3ccccc3-c3ccc([Si](C)C)cc32)CC=C1.
What is the InChIKey of CID 173187186?
The InChIKey is XMIDUDNSVKQGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Si/c1-14-7-6-10-16(14)21-19-9-5-4-8-17(19)18-12-11-15(22(2)3)13-20(18)21/h4-9,11-13,21H,10H2,1-3H3.
What are the key properties of CID 173187186?
CID 173187186 has a molecular weight of 301.49 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187186 is sourced from PubChem (CID 173187186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).