CID 173271921

C24H28SiZr-6 — CID 173271921

IUPAC—
SMILESCc1[cH-]c2ccccc2c1[Si]c1c(C)[cH-]c2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[Zr]
InChIInChI=1S/C20H16Si.4CH3.Zr/c1-13-11-15-7-3-5-9-17(15)19(13)21-20-14(2)12-16-8-4-6-10-18(16)20;;;;;/h3-12H,1-2H3;4*1H3;/q-2;4*-1;
InChIKeyVQFLXYNGLKXMPC-UHFFFAOYSA-N
MW435.80 g/mol
LogP5.50
Rot. Bonds2

About CID 173271921

CID 173271921 (PubChem CID 173271921) has the molecular formula C24H28SiZr-6 and a molecular weight of 435.80 g/mol.

Molecular Properties

Compound NameCID 173271921
PubChem CID173271921
Molecular FormulaC24H28SiZr-6
Molecular Weight435.80 g/mol
Exact Mass434.10
IUPAC Name—
SMILESCc1[cH-]c2ccccc2c1[Si]c1c(C)[cH-]c2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[Zr]
InChIInChI=1S/C20H16Si.4CH3.Zr/c1-13-11-15-7-3-5-9-17(15)19(13)21-20-14(2)12-16-8-4-6-10-18(16)20;;;;;/h3-12H,1-2H3;4*1H3;/q-2;4*-1;
InChIKeyVQFLXYNGLKXMPC-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.80
LogP ≤ 55.50
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 173271921?
The IUPAC name of CID 173271921 (CID 173271921) is not available.
What is the SMILES notation for CID 173271921?
The canonical SMILES for CID 173271921 is Cc1[cH-]c2ccccc2c1[Si]c1c(C)[cH-]c2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[Zr].
What is the InChIKey of CID 173271921?
The InChIKey is VQFLXYNGLKXMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Si.4CH3.Zr/c1-13-11-15-7-3-5-9-17(15)19(13)21-20-14(2)12-16-8-4-6-10-18(16)20;;;;;/h3-12H,1-2H3;4*1H3;/q-2;4*-1;.
What are the key properties of CID 173271921?
CID 173271921 has a molecular weight of 435.80 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173271921 is sourced from PubChem (CID 173271921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).