CID 173115511

C20H19Cl2SiZr — CID 173115511

IUPAC—
SMILESC1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.C[Si]C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C18H13.C2H6Si.2ClH.Zr/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;1-3-2;;;/h1-6,8-12H,7H2;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyNFEWFMQTXBFKNL-UHFFFAOYSA-L
MW449.59 g/mol
LogP-0.15
Rot. Bonds1

About CID 173115511

CID 173115511 (PubChem CID 173115511) has the molecular formula C20H19Cl2SiZr and a molecular weight of 449.59 g/mol.

Molecular Properties

Compound NameCID 173115511
PubChem CID173115511
Molecular FormulaC20H19Cl2SiZr
Molecular Weight449.59 g/mol
Exact Mass446.97
IUPAC Name—
SMILESC1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.C[Si]C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C18H13.C2H6Si.2ClH.Zr/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;1-3-2;;;/h1-6,8-12H,7H2;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyNFEWFMQTXBFKNL-UHFFFAOYSA-L
XLogP-0.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173115511?
The IUPAC name of CID 173115511 (CID 173115511) is not available.
What is the SMILES notation for CID 173115511?
The canonical SMILES for CID 173115511 is C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.C[Si]C.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 173115511?
The InChIKey is NFEWFMQTXBFKNL-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13.C2H6Si.2ClH.Zr/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;1-3-2;;;/h1-6,8-12H,7H2;1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 173115511?
CID 173115511 has a molecular weight of 449.59 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173115511 is sourced from PubChem (CID 173115511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).