ethyl hexanoate;rhodium

C8H16O2Rh — CID 87383837

IUPACethyl hexanoate;rhodium
SMILESCCCCCC(=O)OCC.[Rh]
InChIInChI=1S/C8H16O2.Rh/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyYFWNUYQMEJLXEE-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.13
Rot. Bonds5

About ethyl hexanoate;rhodium

ethyl hexanoate;rhodium (PubChem CID 87383837) has the molecular formula C8H16O2Rh and a molecular weight of 247.12 g/mol. Its IUPAC name is ethyl hexanoate;rhodium.

Molecular Properties

Compound Nameethyl hexanoate;rhodium
PubChem CID87383837
Molecular FormulaC8H16O2Rh
Molecular Weight247.12 g/mol
Exact Mass247.02
IUPAC Nameethyl hexanoate;rhodium
SMILESCCCCCC(=O)OCC.[Rh]
InChIInChI=1S/C8H16O2.Rh/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyYFWNUYQMEJLXEE-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl hexanoate;mercury
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ethyl hexanoate;tungsten
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ethyl tetradecanoate
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ethyl hexanoate;titanium
CID 87406037
CID 87572227
CID 87572227
ethyl hexanoate;gadolinium
CID 174444534
ethyl undecanoate
CID 12327
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;zirconium(2+)
CID 161370000
ethyl decanoate;methanol
CID 161391102

Frequently Asked Questions

What is the IUPAC name of ethyl hexanoate;rhodium?
The IUPAC name of ethyl hexanoate;rhodium (CID 87383837) is ethyl hexanoate;rhodium.
What is the SMILES notation for ethyl hexanoate;rhodium?
The canonical SMILES for ethyl hexanoate;rhodium is CCCCCC(=O)OCC.[Rh].
What is the InChIKey of ethyl hexanoate;rhodium?
The InChIKey is YFWNUYQMEJLXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Rh/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;.
What are the key properties of ethyl hexanoate;rhodium?
ethyl hexanoate;rhodium has a molecular weight of 247.12 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hexanoate;rhodium is sourced from PubChem (CID 87383837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).