octan-2-one;platinum

C8H16OPt — CID 174910160

IUPACoctan-2-one;platinum
SMILESCCCCCCC(C)=O.[Pt]
InChIInChI=1S/C8H16O.Pt/c1-3-4-5-6-7-8(2)9;/h3-7H2,1-2H3;
InChIKeyNJEDKBSQEAVKSV-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.54
Rot. Bonds5

About octan-2-one;platinum

octan-2-one;platinum (PubChem CID 174910160) has the molecular formula C8H16OPt and a molecular weight of 323.29 g/mol. Its IUPAC name is octan-2-one;platinum.

Molecular Properties

Compound Nameoctan-2-one;platinum
PubChem CID174910160
Molecular FormulaC8H16OPt
Molecular Weight323.29 g/mol
Exact Mass323.08
IUPAC Nameoctan-2-one;platinum
SMILESCCCCCCC(C)=O.[Pt]
InChIInChI=1S/C8H16O.Pt/c1-3-4-5-6-7-8(2)9;/h3-7H2,1-2H3;
InChIKeyNJEDKBSQEAVKSV-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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molybdenum;octan-2-one;hydrate
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Frequently Asked Questions

What is the IUPAC name of octan-2-one;platinum?
The IUPAC name of octan-2-one;platinum (CID 174910160) is octan-2-one;platinum.
What is the SMILES notation for octan-2-one;platinum?
The canonical SMILES for octan-2-one;platinum is CCCCCCC(C)=O.[Pt].
What is the InChIKey of octan-2-one;platinum?
The InChIKey is NJEDKBSQEAVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.Pt/c1-3-4-5-6-7-8(2)9;/h3-7H2,1-2H3;.
What are the key properties of octan-2-one;platinum?
octan-2-one;platinum has a molecular weight of 323.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-one;platinum is sourced from PubChem (CID 174910160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).