CID 173325466

C25H31Cl2SiZr — CID 173325466

IUPAC—
SMILESCC.CC(C)C1=CC[C-]=C1[Si](C)C.[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C10H16Si.C2H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8(2)9-6-5-7-10(9)11(3)4;1-2;;;/h1-9H;6,8H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyAOMDMOPHERFNCI-UHFFFAOYSA-L
MW521.74 g/mol
LogP1.74
Rot. Bonds2

About CID 173325466

CID 173325466 (PubChem CID 173325466) has the molecular formula C25H31Cl2SiZr and a molecular weight of 521.74 g/mol.

Molecular Properties

Compound NameCID 173325466
PubChem CID173325466
Molecular FormulaC25H31Cl2SiZr
Molecular Weight521.74 g/mol
Exact Mass519.06
IUPAC Name—
SMILESCC.CC(C)C1=CC[C-]=C1[Si](C)C.[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C10H16Si.C2H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8(2)9-6-5-7-10(9)11(3)4;1-2;;;/h1-9H;6,8H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyAOMDMOPHERFNCI-UHFFFAOYSA-L
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.74
LogP ≤ 51.74
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

bis(9H-fluoren-9-ide);bis(2-propan-2-ylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
CID 23084331
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
CID 22672391
[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 160548859
CID 87140143
CID 87140143
bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87774436
cyclohexylidenezirconium(2+);2,5-dimethyl-3-propan-2-ylcyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87464193
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87141014
CID 173225769
CID 173225769
9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride
CID 87146509
CID 173104995
CID 173104995
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437

Frequently Asked Questions

What is the IUPAC name of CID 173325466?
The IUPAC name of CID 173325466 (CID 173325466) is not available.
What is the SMILES notation for CID 173325466?
The canonical SMILES for CID 173325466 is CC.CC(C)C1=CC[C-]=C1[Si](C)C.[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173325466?
The InChIKey is AOMDMOPHERFNCI-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C10H16Si.C2H6.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8(2)9-6-5-7-10(9)11(3)4;1-2;;;/h1-9H;6,8H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173325466?
CID 173325466 has a molecular weight of 521.74 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173325466 is sourced from PubChem (CID 173325466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).