naphthalene-1-carbaldehyde;zinc

C11H8OZn — CID 88790891

IUPACnaphthalene-1-carbaldehyde;zinc
SMILESO=Cc1cccc2ccccc12.[Zn]
InChIInChI=1S/C11H8O.Zn/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-8H;
InChIKeyGKSFMASPWPCZPR-UHFFFAOYSA-N
MW221.57 g/mol
LogP2.65
Rot. Bonds1

About naphthalene-1-carbaldehyde;zinc

naphthalene-1-carbaldehyde;zinc (PubChem CID 88790891) has the molecular formula C11H8OZn and a molecular weight of 221.57 g/mol. Its IUPAC name is naphthalene-1-carbaldehyde;zinc.

Molecular Properties

Compound Namenaphthalene-1-carbaldehyde;zinc
PubChem CID88790891
Molecular FormulaC11H8OZn
Molecular Weight221.57 g/mol
Exact Mass219.99
IUPAC Namenaphthalene-1-carbaldehyde;zinc
SMILESO=Cc1cccc2ccccc12.[Zn]
InChIInChI=1S/C11H8O.Zn/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-8H;
InChIKeyGKSFMASPWPCZPR-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.57
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbaldehyde;zinc?
The IUPAC name of naphthalene-1-carbaldehyde;zinc (CID 88790891) is naphthalene-1-carbaldehyde;zinc.
What is the SMILES notation for naphthalene-1-carbaldehyde;zinc?
The canonical SMILES for naphthalene-1-carbaldehyde;zinc is O=Cc1cccc2ccccc12.[Zn].
What is the InChIKey of naphthalene-1-carbaldehyde;zinc?
The InChIKey is GKSFMASPWPCZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O.Zn/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-8H;.
What are the key properties of naphthalene-1-carbaldehyde;zinc?
naphthalene-1-carbaldehyde;zinc has a molecular weight of 221.57 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbaldehyde;zinc is sourced from PubChem (CID 88790891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).