dizinc;2-phenylethylbenzene;propane

C20H26Zn2 — CID 177427597

IUPACdizinc;2-phenylethylbenzene;propane
SMILESC[CH-]C.C[CH-]C.[Zn+2].[Zn+2].[c-]1cccc(CCc2c[c-]ccc2)c1
InChIInChI=1S/C14H12.2C3H7.2Zn/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-2;;/h1-3,5,7-10H,11-12H2;2*3H,1-2H3;;/q-2;2*-1;2*+2
InChIKeyPRECOOYDWLQFCV-UHFFFAOYSA-N
MW397.21 g/mol
LogP5.53
Rot. Bonds3

About dizinc;2-phenylethylbenzene;propane

dizinc;2-phenylethylbenzene;propane (PubChem CID 177427597) has the molecular formula C20H26Zn2 and a molecular weight of 397.21 g/mol. Its IUPAC name is dizinc;2-phenylethylbenzene;propane.

Molecular Properties

Compound Namedizinc;2-phenylethylbenzene;propane
PubChem CID177427597
Molecular FormulaC20H26Zn2
Molecular Weight397.21 g/mol
Exact Mass394.06
IUPAC Namedizinc;2-phenylethylbenzene;propane
SMILESC[CH-]C.C[CH-]C.[Zn+2].[Zn+2].[c-]1cccc(CCc2c[c-]ccc2)c1
InChIInChI=1S/C14H12.2C3H7.2Zn/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-2;;/h1-3,5,7-10H,11-12H2;2*3H,1-2H3;;/q-2;2*-1;2*+2
InChIKeyPRECOOYDWLQFCV-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.21
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dizinc;2-phenylethylbenzene;propane?
The IUPAC name of dizinc;2-phenylethylbenzene;propane (CID 177427597) is dizinc;2-phenylethylbenzene;propane.
What is the SMILES notation for dizinc;2-phenylethylbenzene;propane?
The canonical SMILES for dizinc;2-phenylethylbenzene;propane is C[CH-]C.C[CH-]C.[Zn+2].[Zn+2].[c-]1cccc(CCc2c[c-]ccc2)c1.
What is the InChIKey of dizinc;2-phenylethylbenzene;propane?
The InChIKey is PRECOOYDWLQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.2C3H7.2Zn/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-2;;/h1-3,5,7-10H,11-12H2;2*3H,1-2H3;;/q-2;2*-1;2*+2.
What are the key properties of dizinc;2-phenylethylbenzene;propane?
dizinc;2-phenylethylbenzene;propane has a molecular weight of 397.21 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;2-phenylethylbenzene;propane is sourced from PubChem (CID 177427597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).