CID 172861353

C20H33F2SiZr — CID 172861353

IUPAC—
SMILESCC[SiH]CC.CC[c-]1cccc1C.CC[c-]1cccc1C.[F-].[F-].[Zr+4]
InChIInChI=1S/2C8H11.C4H11Si.2FH.Zr/c2*1-3-8-6-4-5-7(8)2;1-3-5-4-2;;;/h2*4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRGHZWRYODCRDKT-UHFFFAOYSA-L
MW430.79 g/mol
LogP-0.14
Rot. Bonds4

About CID 172861353

CID 172861353 (PubChem CID 172861353) has the molecular formula C20H33F2SiZr and a molecular weight of 430.79 g/mol.

Molecular Properties

Compound NameCID 172861353
PubChem CID172861353
Molecular FormulaC20H33F2SiZr
Molecular Weight430.79 g/mol
Exact Mass429.14
IUPAC Name—
SMILESCC[SiH]CC.CC[c-]1cccc1C.CC[c-]1cccc1C.[F-].[F-].[Zr+4]
InChIInChI=1S/2C8H11.C4H11Si.2FH.Zr/c2*1-3-8-6-4-5-7(8)2;1-3-5-4-2;;;/h2*4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyRGHZWRYODCRDKT-UHFFFAOYSA-L
XLogP-0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.79
LogP ≤ 5-0.14
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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Related Compounds

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CID 172829400
CID 172746450
CID 172746450
5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane
CID 173240986
cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
CID 175107050
bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
CID 159332319
magnesium bis(5-butyl-1-tert-butylcyclopenta-1,3-diene)
CID 169222856
1,5-dibutylcyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;zirconium(2+)
CID 154064625
1-(2,4-dimethylpenta-1,3-dienyl)-5-ethylcyclopenta-1,3-diene;ruthenium(1+)
CID 151014593
cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
CID 88769962
1,5-diethylcyclopenta-1,3-diene;iron;1,2,3-triethylcyclopentane
CID 173240726
cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
CID 174912786
1-ethylinden-1-ide;titanium;dihydrobromide
CID 174711611

Frequently Asked Questions

What is the IUPAC name of CID 172861353?
The IUPAC name of CID 172861353 (CID 172861353) is not available.
What is the SMILES notation for CID 172861353?
The canonical SMILES for CID 172861353 is CC[SiH]CC.CC[c-]1cccc1C.CC[c-]1cccc1C.[F-].[F-].[Zr+4].
What is the InChIKey of CID 172861353?
The InChIKey is RGHZWRYODCRDKT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.C4H11Si.2FH.Zr/c2*1-3-8-6-4-5-7(8)2;1-3-5-4-2;;;/h2*4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 172861353?
CID 172861353 has a molecular weight of 430.79 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172861353 is sourced from PubChem (CID 172861353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).