CID 119080224

C19H16Si — CID 119080224

IUPAC—
SMILESC=CCc1ccc2ccccc2c1[Si]c1ccccc1
InChIInChI=1S/C19H16Si/c1-2-8-16-14-13-15-9-6-7-12-18(15)19(16)20-17-10-4-3-5-11-17/h2-7,9-14H,1,8H2
InChIKeyDZHSNDIAGKYWCB-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.22
Rot. Bonds4

About CID 119080224

CID 119080224 (PubChem CID 119080224) has the molecular formula C19H16Si and a molecular weight of 272.42 g/mol.

Molecular Properties

Compound NameCID 119080224
PubChem CID119080224
Molecular FormulaC19H16Si
Molecular Weight272.42 g/mol
Exact Mass272.10
IUPAC Name—
SMILESC=CCc1ccc2ccccc2c1[Si]c1ccccc1
InChIInChI=1S/C19H16Si/c1-2-8-16-14-13-15-9-6-7-12-18(15)19(16)20-17-10-4-3-5-11-17/h2-7,9-14H,1,8H2
InChIKeyDZHSNDIAGKYWCB-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 119080224?
The IUPAC name of CID 119080224 (CID 119080224) is not available.
What is the SMILES notation for CID 119080224?
The canonical SMILES for CID 119080224 is C=CCc1ccc2ccccc2c1[Si]c1ccccc1.
What is the InChIKey of CID 119080224?
The InChIKey is DZHSNDIAGKYWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Si/c1-2-8-16-14-13-15-9-6-7-12-18(15)19(16)20-17-10-4-3-5-11-17/h2-7,9-14H,1,8H2.
What are the key properties of CID 119080224?
CID 119080224 has a molecular weight of 272.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080224 is sourced from PubChem (CID 119080224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).