CID 173067058

C18H28Cl2GeZr — CID 173067058

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CC[Ge]CC.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H13.C5H5.C4H10Ge.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;1-3-5-4-2;;;/h6H,1-4H3;1-3H,4H2;3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyHGPOZXCRSUTQGL-UHFFFAOYSA-L
MW479.16 g/mol
LogP-0.40
Rot. Bonds2

About CID 173067058

CID 173067058 (PubChem CID 173067058) has the molecular formula C18H28Cl2GeZr and a molecular weight of 479.16 g/mol.

Molecular Properties

Compound NameCID 173067058
PubChem CID173067058
Molecular FormulaC18H28Cl2GeZr
Molecular Weight479.16 g/mol
Exact Mass477.98
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CC[Ge]CC.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H13.C5H5.C4H10Ge.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;1-3-5-4-2;;;/h6H,1-4H3;1-3H,4H2;3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyHGPOZXCRSUTQGL-UHFFFAOYSA-L
XLogP-0.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze CID 173067058 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(2+);dihydrochloride
CID 87394900
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 22012837
bis(cyclopenta-1,3-diene);bis(diphenylsilylidenehafnium(2+));bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
CID 173383361
1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87514830
neodymium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 74765419
bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);zirconium(2+)
CID 18431322
cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 173069398
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 19351721
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
CID 174493495
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride
CID 23363187

Frequently Asked Questions

What is the IUPAC name of CID 173067058?
The IUPAC name of CID 173067058 (CID 173067058) is not available.
What is the SMILES notation for CID 173067058?
The canonical SMILES for CID 173067058 is CC1=[C-]C(C)C(C)=C1C.CC[Ge]CC.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173067058?
The InChIKey is HGPOZXCRSUTQGL-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C5H5.C4H10Ge.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;1-3-5-4-2;;;/h6H,1-4H3;1-3H,4H2;3-4H2,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173067058?
CID 173067058 has a molecular weight of 479.16 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173067058 is sourced from PubChem (CID 173067058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).