benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)

C23H24OSiZr — CID 174258600

IUPACbenzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)
SMILESO[SiH3].[C-]1=CC=CC1.[Zr+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.C5H5.H4OSi.Zr/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2;/h3*1-5H;1-3H,4H2;1H,2H3;/q4*-1;;+4
InChIKeyUZJKUEOGTDLPQH-UHFFFAOYSA-N
MW435.75 g/mol
LogP4.02
Rot. Bonds

About benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)

benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+) (PubChem CID 174258600) has the molecular formula C23H24OSiZr and a molecular weight of 435.75 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+).

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)
PubChem CID174258600
Molecular FormulaC23H24OSiZr
Molecular Weight435.75 g/mol
Exact Mass434.06
IUPAC Namebenzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)
SMILESO[SiH3].[C-]1=CC=CC1.[Zr+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.C5H5.H4OSi.Zr/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2;/h3*1-5H;1-3H,4H2;1H,2H3;/q4*-1;;+4
InChIKeyUZJKUEOGTDLPQH-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

benzene;cyclopenta-1,3-diene;titanium(3+)
CID 173200897
benzene;cyclopenta-1,3-diene;zirconium(2+)
CID 174248756
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CID 67644722
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
benzene;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 174656990
bis(cyclopenta-1,3-diene);zirconium(4+);difluoride
CID 23354655
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CID 173166771
benzene;cyclopenta-1,3-diene;pentane;vanadium
CID 173225730
benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008627
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cesium cyclopenta-1,3-diene
CID 18362255

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)?
The IUPAC name of benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+) (CID 174258600) is benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+).
What is the SMILES notation for benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)?
The canonical SMILES for benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+) is O[SiH3].[C-]1=CC=CC1.[Zr+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)?
The InChIKey is UZJKUEOGTDLPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C5H5.H4OSi.Zr/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2;/h3*1-5H;1-3H,4H2;1H,2H3;/q4*-1;;+4.
What are the key properties of benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)?
benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+) has a molecular weight of 435.75 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+) is sourced from PubChem (CID 174258600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).