CID 87107737

C24H30Cl2SiZr-4 — CID 87107737

IUPAC—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH2-]C.[CH2-]C.[Si]=[Zr]
InChIInChI=1S/2C10H9.2C2H5.2ClH.Si.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*1-2;;;;/h2*2-7H,1H3;2*1H2,2H3;2*1H;;/q4*-1;;;;
InChIKeySYXRYJBDPRABCP-UHFFFAOYSA-N
MW508.72 g/mol
LogP7.88
Rot. Bonds

About CID 87107737

CID 87107737 (PubChem CID 87107737) has the molecular formula C24H30Cl2SiZr-4 and a molecular weight of 508.72 g/mol.

Molecular Properties

Compound NameCID 87107737
PubChem CID87107737
Molecular FormulaC24H30Cl2SiZr-4
Molecular Weight508.72 g/mol
Exact Mass506.06
IUPAC Name—
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH2-]C.[CH2-]C.[Si]=[Zr]
InChIInChI=1S/2C10H9.2C2H5.2ClH.Si.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*1-2;;;;/h2*2-7H,1H3;2*1H2,2H3;2*1H;;/q4*-1;;;;
InChIKeySYXRYJBDPRABCP-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.72
LogP ≤ 57.88
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 87107737?
The IUPAC name of CID 87107737 (CID 87107737) is not available.
What is the SMILES notation for CID 87107737?
The canonical SMILES for CID 87107737 is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH2-]C.[CH2-]C.[Si]=[Zr].
What is the InChIKey of CID 87107737?
The InChIKey is SYXRYJBDPRABCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.2C2H5.2ClH.Si.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*1-2;;;;/h2*2-7H,1H3;2*1H2,2H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87107737?
CID 87107737 has a molecular weight of 508.72 g/mol, XLogP of 7.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87107737 is sourced from PubChem (CID 87107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).