ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine

C21H43NO — CID 90988158

IUPACethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine
SMILESCCC1CCCCC1.CCC1CCNC1.CCC1CCOCC1
InChIInChI=1S/C8H16.C7H14O.C6H13N/c1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6/h8H,2-7H2,1H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyHUQODCFICUVBHG-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.81
Rot. Bonds3

About ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine

ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine (PubChem CID 90988158) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine.

Molecular Properties

Compound Nameethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine
PubChem CID90988158
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Nameethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine
SMILESCCC1CCCCC1.CCC1CCNC1.CCC1CCOCC1
InChIInChI=1S/C8H16.C7H14O.C6H13N/c1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6/h8H,2-7H2,1H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyHUQODCFICUVBHG-UHFFFAOYSA-N
XLogP5.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine?
The IUPAC name of ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine (CID 90988158) is ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine.
What is the SMILES notation for ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine?
The canonical SMILES for ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine is CCC1CCCCC1.CCC1CCNC1.CCC1CCOCC1.
What is the InChIKey of ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine?
The InChIKey is HUQODCFICUVBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H14O.C6H13N/c1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6/h8H,2-7H2,1H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine?
ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine has a molecular weight of 325.58 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;4-ethyloxane;3-ethylpyrrolidine is sourced from PubChem (CID 90988158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).