CID 160679400

C13H19Cl2GeHf — CID 160679400

IUPAC—
SMILESC[GeH]C.C[c-]1cccc1.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1
InChIInChI=1S/C6H7.C5H5.C2H7Ge.2ClH.Hf/c1-6-4-2-3-5-6;1-2-4-5-3-1;1-3-2;;;/h2-5H,1H3;1-5H;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyMVBQLPMVWYRKST-UHFFFAOYSA-L
MW497.30 g/mol
LogP-2.36
Rot. Bonds

About CID 160679400

CID 160679400 (PubChem CID 160679400) has the molecular formula C13H19Cl2GeHf and a molecular weight of 497.30 g/mol.

Molecular Properties

Compound NameCID 160679400
PubChem CID160679400
Molecular FormulaC13H19Cl2GeHf
Molecular Weight497.30 g/mol
Exact Mass498.95
IUPAC Name—
SMILESC[GeH]C.C[c-]1cccc1.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1
InChIInChI=1S/C6H7.C5H5.C2H7Ge.2ClH.Hf/c1-6-4-2-3-5-6;1-2-4-5-3-1;1-3-2;;;/h2-5H,1H3;1-5H;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyMVBQLPMVWYRKST-UHFFFAOYSA-L
XLogP-2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.30
LogP ≤ 5-2.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 158895682
bis(5-methylcyclopenta-1,3-diene);zirconium(4+)
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carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
CID 175586700
cyclopenta-1,3-diene;neodymium(3+);dichloride
CID 137481493
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640
cyclopenta-1,3-diene;uranium;pentachloride
CID 163599803
CID 158394862
CID 158394862
cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
CID 75124254
bis(cyclopenta-1,3-diene);zirconium(4+);dichloride;hydrate
CID 172805895
carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride
CID 172803177
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
CID 172721003
CID 172721003

Frequently Asked Questions

What is the IUPAC name of CID 160679400?
The IUPAC name of CID 160679400 (CID 160679400) is not available.
What is the SMILES notation for CID 160679400?
The canonical SMILES for CID 160679400 is C[GeH]C.C[c-]1cccc1.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1.
What is the InChIKey of CID 160679400?
The InChIKey is MVBQLPMVWYRKST-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7.C5H5.C2H7Ge.2ClH.Hf/c1-6-4-2-3-5-6;1-2-4-5-3-1;1-3-2;;;/h2-5H,1H3;1-5H;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 160679400?
CID 160679400 has a molecular weight of 497.30 g/mol, XLogP of -2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160679400 is sourced from PubChem (CID 160679400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).