CID 175828995

C24H26HfSi — CID 175828995

IUPAC—
SMILESCCc1cc2c(C)cccc2[cH-]1.CCc1cc2c(C)cccc2[cH-]1.[Si]=[Hf+2]
InChIInChI=1S/2C12H13.Hf.Si/c2*1-3-10-7-11-6-4-5-9(2)12(11)8-10;;/h2*4-8H,3H2,1-2H3;;/q2*-1;+2;
InChIKeyGKZILFPIMYNFRG-UHFFFAOYSA-N
MW521.05 g/mol
LogP6.48
Rot. Bonds2

About CID 175828995

CID 175828995 (PubChem CID 175828995) has the molecular formula C24H26HfSi and a molecular weight of 521.05 g/mol.

Molecular Properties

Compound NameCID 175828995
PubChem CID175828995
Molecular FormulaC24H26HfSi
Molecular Weight521.05 g/mol
Exact Mass522.13
IUPAC Name—
SMILESCCc1cc2c(C)cccc2[cH-]1.CCc1cc2c(C)cccc2[cH-]1.[Si]=[Hf+2]
InChIInChI=1S/2C12H13.Hf.Si/c2*1-3-10-7-11-6-4-5-9(2)12(11)8-10;;/h2*4-8H,3H2,1-2H3;;/q2*-1;+2;
InChIKeyGKZILFPIMYNFRG-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.05
LogP ≤ 56.48
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 175828995?
The IUPAC name of CID 175828995 (CID 175828995) is not available.
What is the SMILES notation for CID 175828995?
The canonical SMILES for CID 175828995 is CCc1cc2c(C)cccc2[cH-]1.CCc1cc2c(C)cccc2[cH-]1.[Si]=[Hf+2].
What is the InChIKey of CID 175828995?
The InChIKey is GKZILFPIMYNFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13.Hf.Si/c2*1-3-10-7-11-6-4-5-9(2)12(11)8-10;;/h2*4-8H,3H2,1-2H3;;/q2*-1;+2;.
What are the key properties of CID 175828995?
CID 175828995 has a molecular weight of 521.05 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175828995 is sourced from PubChem (CID 175828995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).