CID 174221076

C17H25I2SiZr — CID 174221076

IUPAC—
SMILESCC(C)Cc1cc2ccccc2[cH-]1.CC[Si]CC.[I-].[I-].[Zr+3]
InChIInChI=1S/C13H15.C4H10Si.2HI.Zr/c1-10(2)7-11-8-12-5-3-4-6-13(12)9-11;1-3-5-4-2;;;/h3-6,8-10H,7H2,1-2H3;3-4H2,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyKDMDKALANBULFW-UHFFFAOYSA-L
MW602.50 g/mol
LogP-0.67
Rot. Bonds4

About CID 174221076

CID 174221076 (PubChem CID 174221076) has the molecular formula C17H25I2SiZr and a molecular weight of 602.50 g/mol.

Molecular Properties

Compound NameCID 174221076
PubChem CID174221076
Molecular FormulaC17H25I2SiZr
Molecular Weight602.50 g/mol
Exact Mass600.89
IUPAC Name—
SMILESCC(C)Cc1cc2ccccc2[cH-]1.CC[Si]CC.[I-].[I-].[Zr+3]
InChIInChI=1S/C13H15.C4H10Si.2HI.Zr/c1-10(2)7-11-8-12-5-3-4-6-13(12)9-11;1-3-5-4-2;;;/h3-6,8-10H,7H2,1-2H3;3-4H2,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyKDMDKALANBULFW-UHFFFAOYSA-L
XLogP-0.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.50
LogP ≤ 5-0.67
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 175787825
CID 175787825
CID 174221085
CID 174221085
2-[1-(1H-inden-1-id-2-yl)propan-2-yl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 18544764
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
CID 173162612
CID 173162612
carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
CID 173263826
2-butyl-1H-inden-1-ide;titanium(3+);diiodide
CID 174711476
CID 173161362
CID 173161362
CID 172721451
CID 172721451
2-butyl-1H-inden-1-ide;chromium
CID 150230338
cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
CID 154426269

Frequently Asked Questions

What is the IUPAC name of CID 174221076?
The IUPAC name of CID 174221076 (CID 174221076) is not available.
What is the SMILES notation for CID 174221076?
The canonical SMILES for CID 174221076 is CC(C)Cc1cc2ccccc2[cH-]1.CC[Si]CC.[I-].[I-].[Zr+3].
What is the InChIKey of CID 174221076?
The InChIKey is KDMDKALANBULFW-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15.C4H10Si.2HI.Zr/c1-10(2)7-11-8-12-5-3-4-6-13(12)9-11;1-3-5-4-2;;;/h3-6,8-10H,7H2,1-2H3;3-4H2,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 174221076?
CID 174221076 has a molecular weight of 602.50 g/mol, XLogP of -0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174221076 is sourced from PubChem (CID 174221076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).