ethyl hexanoate;gadolinium

C8H16GdO2 — CID 174444534

IUPACethyl hexanoate;gadolinium
SMILESCCCCCC(=O)OCC.[Gd]
InChIInChI=1S/C8H16O2.Gd/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyAZRLCIGEVBRSSA-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.13
Rot. Bonds5

About ethyl hexanoate;gadolinium

ethyl hexanoate;gadolinium (PubChem CID 174444534) has the molecular formula C8H16GdO2 and a molecular weight of 301.46 g/mol. Its IUPAC name is ethyl hexanoate;gadolinium.

Molecular Properties

Compound Nameethyl hexanoate;gadolinium
PubChem CID174444534
Molecular FormulaC8H16GdO2
Molecular Weight301.46 g/mol
Exact Mass302.04
IUPAC Nameethyl hexanoate;gadolinium
SMILESCCCCCC(=O)OCC.[Gd]
InChIInChI=1S/C8H16O2.Gd/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyAZRLCIGEVBRSSA-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 ≤ 500301.46
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

ethyl decanoate;methanol
CID 161391102
ethyl hexanoate;gallane
CID 174708288
ethyl undecanoate
CID 12327
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088
ethyl tetradecanoate
CID 89052756
ethyl hexanoate;titanium
CID 87406037
CID 87572227
CID 87572227
ethyl hexanoate;nickel(2+)
CID 162067155
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;rhodium
CID 87383837
ethyl hexanoate;zirconium(2+)
CID 161370000

Frequently Asked Questions

What is the IUPAC name of ethyl hexanoate;gadolinium?
The IUPAC name of ethyl hexanoate;gadolinium (CID 174444534) is ethyl hexanoate;gadolinium.
What is the SMILES notation for ethyl hexanoate;gadolinium?
The canonical SMILES for ethyl hexanoate;gadolinium is CCCCCC(=O)OCC.[Gd].
What is the InChIKey of ethyl hexanoate;gadolinium?
The InChIKey is AZRLCIGEVBRSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Gd/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;.
What are the key properties of ethyl hexanoate;gadolinium?
ethyl hexanoate;gadolinium has a molecular weight of 301.46 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;gadolinium is sourced from PubChem (CID 174444534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).