CID 90234287

C32H44Cl2GeZr-4 — CID 90234287

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]CCC.[CH2-]CCC.[Ge]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2C4H9.2ClH.Ge.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;2*1-3-4-2;;;;/h1-11H;6H,1-4H3;2*1,3-4H2,2H3;2*1H;;/q4*-1;;;;
InChIKeyJDJUMESHFTZCGZ-UHFFFAOYSA-N
MW663.44 g/mol
LogP10.65
Rot. Bonds3

About CID 90234287

CID 90234287 (PubChem CID 90234287) has the molecular formula C32H44Cl2GeZr-4 and a molecular weight of 663.44 g/mol.

Molecular Properties

Compound NameCID 90234287
PubChem CID90234287
Molecular FormulaC32H44Cl2GeZr-4
Molecular Weight663.44 g/mol
Exact Mass662.11
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]CCC.[CH2-]CCC.[Ge]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2C4H9.2ClH.Ge.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;2*1-3-4-2;;;;/h1-11H;6H,1-4H3;2*1,3-4H2,2H3;2*1H;;/q4*-1;;;;
InChIKeyJDJUMESHFTZCGZ-UHFFFAOYSA-N
XLogP10.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.44
LogP ≤ 510.65
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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Frequently Asked Questions

What is the IUPAC name of CID 90234287?
The IUPAC name of CID 90234287 (CID 90234287) is not available.
What is the SMILES notation for CID 90234287?
The canonical SMILES for CID 90234287 is CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]CCC.[CH2-]CCC.[Ge]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1.
What is the InChIKey of CID 90234287?
The InChIKey is JDJUMESHFTZCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11.C9H13.2C4H9.2ClH.Ge.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;2*1-3-4-2;;;;/h1-11H;6H,1-4H3;2*1,3-4H2,2H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 90234287?
CID 90234287 has a molecular weight of 663.44 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90234287 is sourced from PubChem (CID 90234287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).