decan-1-one;rhenium

C10H19ORe- — CID 88777859

IUPACdecan-1-one;rhenium
SMILESCCCCCCCCC[C-]=O.[Re]
InChIInChI=1S/C10H19O.Re/c1-2-3-4-5-6-7-8-9-10-11;/h2-9H2,1H3;/q-1;
InChIKeyIVZKTTYYXDAHLI-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.23
Rot. Bonds8

About decan-1-one;rhenium

decan-1-one;rhenium (PubChem CID 88777859) has the molecular formula C10H19ORe- and a molecular weight of 341.47 g/mol. Its IUPAC name is decan-1-one;rhenium.

Molecular Properties

Compound Namedecan-1-one;rhenium
PubChem CID88777859
Molecular FormulaC10H19ORe-
Molecular Weight341.47 g/mol
Exact Mass342.10
IUPAC Namedecan-1-one;rhenium
SMILESCCCCCCCCC[C-]=O.[Re]
InChIInChI=1S/C10H19O.Re/c1-2-3-4-5-6-7-8-9-10-11;/h2-9H2,1H3;/q-1;
InChIKeyIVZKTTYYXDAHLI-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87605930
bis(octadecanoic acid);octadecan-1-one;oxotitanium(2+);propane
CID 87072788
sodium;hexacosane-1,15-dione;2-hydroxypropanoic acid
CID 158179904
trisodium;2-aminobutanedioate;dodecan-1-one
CID 175191706
butan-1-one;pentan-1-ol;zinc
CID 174566497
potassium;2-aminopentanedioic acid;hexadecan-1-one
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Frequently Asked Questions

What is the IUPAC name of decan-1-one;rhenium?
The IUPAC name of decan-1-one;rhenium (CID 88777859) is decan-1-one;rhenium.
What is the SMILES notation for decan-1-one;rhenium?
The canonical SMILES for decan-1-one;rhenium is CCCCCCCCC[C-]=O.[Re].
What is the InChIKey of decan-1-one;rhenium?
The InChIKey is IVZKTTYYXDAHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O.Re/c1-2-3-4-5-6-7-8-9-10-11;/h2-9H2,1H3;/q-1;.
What are the key properties of decan-1-one;rhenium?
decan-1-one;rhenium has a molecular weight of 341.47 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-one;rhenium is sourced from PubChem (CID 88777859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).