CID 140645357

C32H42GeZr-4 — CID 140645357

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]CCC.[CH2-]CCC.[Ge]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2C4H9.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;;/q4*-1;;
InChIKeyQFPUPEKQISBAIO-UHFFFAOYSA-N
MW590.52 g/mol
LogP9.81
Rot. Bonds3

About CID 140645357

CID 140645357 (PubChem CID 140645357) has the molecular formula C32H42GeZr-4 and a molecular weight of 590.52 g/mol.

Molecular Properties

Compound NameCID 140645357
PubChem CID140645357
Molecular FormulaC32H42GeZr-4
Molecular Weight590.52 g/mol
Exact Mass590.16
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]CCC.[CH2-]CCC.[Ge]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2C4H9.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;;/q4*-1;;
InChIKeyQFPUPEKQISBAIO-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.52
LogP ≤ 59.81
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 140645357?
The IUPAC name of CID 140645357 (CID 140645357) is not available.
What is the SMILES notation for CID 140645357?
The canonical SMILES for CID 140645357 is CC1=[C-]C(C)C(C)=C1C.[CH2-]CCC.[CH2-]CCC.[Ge]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1.
What is the InChIKey of CID 140645357?
The InChIKey is QFPUPEKQISBAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11.C9H13.2C4H9.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;;/q4*-1;;.
What are the key properties of CID 140645357?
CID 140645357 has a molecular weight of 590.52 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140645357 is sourced from PubChem (CID 140645357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).