CID 173337608

C20H35Cl2GeZr — CID 173337608

IUPAC—
SMILESCC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.C[GeH]C.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H13.C2H7Ge.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyZZXVYZKNLFOMNH-UHFFFAOYSA-N
MW510.24 g/mol
LogP6.80
Rot. Bonds

About CID 173337608

CID 173337608 (PubChem CID 173337608) has the molecular formula C20H35Cl2GeZr and a molecular weight of 510.24 g/mol.

Molecular Properties

Compound NameCID 173337608
PubChem CID173337608
Molecular FormulaC20H35Cl2GeZr
Molecular Weight510.24 g/mol
Exact Mass509.04
IUPAC Name—
SMILESCC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.C[GeH]C.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H13.C2H7Ge.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyZZXVYZKNLFOMNH-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.24
LogP ≤ 56.80
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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Frequently Asked Questions

What is the IUPAC name of CID 173337608?
The IUPAC name of CID 173337608 (CID 173337608) is not available.
What is the SMILES notation for CID 173337608?
The canonical SMILES for CID 173337608 is CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.C[GeH]C.Cl.Cl.[Zr+2].
What is the InChIKey of CID 173337608?
The InChIKey is ZZXVYZKNLFOMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.C2H7Ge.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of CID 173337608?
CID 173337608 has a molecular weight of 510.24 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173337608 is sourced from PubChem (CID 173337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).