ethyl hexanoate;oxovanadium

C8H15O3V- — CID 175112171

IUPACethyl hexanoate;oxovanadium
SMILESCCCC[CH-]C(=O)OCC.O=[V]
InChIInChI=1S/C8H15O2.O.V/c1-3-5-6-7-8(9)10-4-2;;/h7H,3-6H2,1-2H3;;/q-1;;
InChIKeyRGQXDTWEPUTIGE-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.82
Rot. Bonds5

About ethyl hexanoate;oxovanadium

ethyl hexanoate;oxovanadium (PubChem CID 175112171) has the molecular formula C8H15O3V- and a molecular weight of 210.15 g/mol. Its IUPAC name is ethyl hexanoate;oxovanadium.

Molecular Properties

Compound Nameethyl hexanoate;oxovanadium
PubChem CID175112171
Molecular FormulaC8H15O3V-
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Nameethyl hexanoate;oxovanadium
SMILESCCCC[CH-]C(=O)OCC.O=[V]
InChIInChI=1S/C8H15O2.O.V/c1-3-5-6-7-8(9)10-4-2;;/h7H,3-6H2,1-2H3;;/q-1;;
InChIKeyRGQXDTWEPUTIGE-UHFFFAOYSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

bromozinc(1+);ethyl pentanoate
CID 146001578
zinc bis(ethyl 3-sulfanylpropanoate)
CID 87181648
N-phosphanyloxyhexanamide;uranium
CID 59563389
ethyl 2-bromoacetate;gold(1+)
CID 174891497
ethyl acetate;pentadecakis(hexane)
CID 173347874
ethyl acetate;(hexane)
CID 173056685
ethyl 2-bromoacetate;zinc
CID 130407816
ethyl acetate;decakis(hexane)
CID 173035239
diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
CID 173106859
sodium ethyl 2-fluoroacetate
CID 162455444
ethyl acetate;decakis(heptane)
CID 173339657
ethyl acetate;pentakis(heptane)
CID 173012961

Frequently Asked Questions

What is the IUPAC name of ethyl hexanoate;oxovanadium?
The IUPAC name of ethyl hexanoate;oxovanadium (CID 175112171) is ethyl hexanoate;oxovanadium.
What is the SMILES notation for ethyl hexanoate;oxovanadium?
The canonical SMILES for ethyl hexanoate;oxovanadium is CCCC[CH-]C(=O)OCC.O=[V].
What is the InChIKey of ethyl hexanoate;oxovanadium?
The InChIKey is RGQXDTWEPUTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2.O.V/c1-3-5-6-7-8(9)10-4-2;;/h7H,3-6H2,1-2H3;;/q-1;;.
What are the key properties of ethyl hexanoate;oxovanadium?
ethyl hexanoate;oxovanadium has a molecular weight of 210.15 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hexanoate;oxovanadium is sourced from PubChem (CID 175112171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).