hexan-2-one;rhenium

C6H11ORe- — CID 59678716

IUPAChexan-2-one;rhenium
SMILESC[CH-]CCC(C)=O.[Re]
InChIInChI=1S/C6H11O.Re/c1-3-4-5-6(2)7;/h3H,4-5H2,1-2H3;/q-1;
InChIKeyZHKFZVWTOZLLJW-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.58
Rot. Bonds3

About hexan-2-one;rhenium

hexan-2-one;rhenium (PubChem CID 59678716) has the molecular formula C6H11ORe- and a molecular weight of 285.36 g/mol. Its IUPAC name is hexan-2-one;rhenium.

Molecular Properties

Compound Namehexan-2-one;rhenium
PubChem CID59678716
Molecular FormulaC6H11ORe-
Molecular Weight285.36 g/mol
Exact Mass286.04
IUPAC Namehexan-2-one;rhenium
SMILESC[CH-]CCC(C)=O.[Re]
InChIInChI=1S/C6H11O.Re/c1-3-4-5-6(2)7;/h3H,4-5H2,1-2H3;/q-1;
InChIKeyZHKFZVWTOZLLJW-UHFFFAOYSA-N
XLogP1.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexane-2,5-dione
CID 8035
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
12-fluorododecan-2-one
CID 11623
nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
5-hydroxypentan-2-one
CID 162230963
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366
CID 58391631
CID 58391631
N-(5-oxohexan-2-ylidene)formamide
CID 129015629
N,5-dioxohexanamide
CID 146976894
1-azidohexan-2-one;tungsten;yttrium
CID 147124648

Frequently Asked Questions

What is the IUPAC name of hexan-2-one;rhenium?
The IUPAC name of hexan-2-one;rhenium (CID 59678716) is hexan-2-one;rhenium.
What is the SMILES notation for hexan-2-one;rhenium?
The canonical SMILES for hexan-2-one;rhenium is C[CH-]CCC(C)=O.[Re].
What is the InChIKey of hexan-2-one;rhenium?
The InChIKey is ZHKFZVWTOZLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O.Re/c1-3-4-5-6(2)7;/h3H,4-5H2,1-2H3;/q-1;.
What are the key properties of hexan-2-one;rhenium?
hexan-2-one;rhenium has a molecular weight of 285.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-one;rhenium is sourced from PubChem (CID 59678716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).