ethyl hexanoate;tungsten

C8H16O2W — CID 175314088

IUPACethyl hexanoate;tungsten
SMILESCCCCCC(=O)OCC.[W]
InChIInChI=1S/C8H16O2.W/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyBFLCFYZAVLEKFI-UHFFFAOYSA-N
MW328.05 g/mol
LogP2.13
Rot. Bonds5

About ethyl hexanoate;tungsten

ethyl hexanoate;tungsten (PubChem CID 175314088) has the molecular formula C8H16O2W and a molecular weight of 328.05 g/mol. Its IUPAC name is ethyl hexanoate;tungsten.

Molecular Properties

Compound Nameethyl hexanoate;tungsten
PubChem CID175314088
Molecular FormulaC8H16O2W
Molecular Weight328.05 g/mol
Exact Mass328.07
IUPAC Nameethyl hexanoate;tungsten
SMILESCCCCCC(=O)OCC.[W]
InChIInChI=1S/C8H16O2.W/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyBFLCFYZAVLEKFI-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 ≤ 500328.05
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;titanium
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CID 87572227
CID 87572227
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;gallane
CID 174708288
ethyl undecanoate
CID 12327
ethyl hexanoate;rhodium
CID 87383837
ethyl hexanoate;zirconium(2+)
CID 161370000
ethyl decanoate;methanol
CID 161391102

Frequently Asked Questions

What is the IUPAC name of ethyl hexanoate;tungsten?
The IUPAC name of ethyl hexanoate;tungsten (CID 175314088) is ethyl hexanoate;tungsten.
What is the SMILES notation for ethyl hexanoate;tungsten?
The canonical SMILES for ethyl hexanoate;tungsten is CCCCCC(=O)OCC.[W].
What is the InChIKey of ethyl hexanoate;tungsten?
The InChIKey is BFLCFYZAVLEKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.W/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;.
What are the key properties of ethyl hexanoate;tungsten?
ethyl hexanoate;tungsten has a molecular weight of 328.05 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;tungsten is sourced from PubChem (CID 175314088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).