2-ethyl-5-methyloxolane

C7H14O — CID 523048

IUPAC2-ethyl-5-methyloxolane
SMILESCCC1CCC(C)O1
InChIInChI=1S/C7H14O/c1-3-7-5-4-6(2)8-7/h6-7H,3-5H2,1-2H3
InChIKeyUHMJZZUFLYFOBN-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.96
Rot. Bonds1

About 2-ethyl-5-methyloxolane

2-ethyl-5-methyloxolane (PubChem CID 523048) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-ethyl-5-methyloxolane.

Molecular Properties

Compound Name2-ethyl-5-methyloxolane
PubChem CID523048
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-ethyl-5-methyloxolane
SMILESCCC1CCC(C)O1
InChIInChI=1S/C7H14O/c1-3-7-5-4-6(2)8-7/h6-7H,3-5H2,1-2H3
InChIKeyUHMJZZUFLYFOBN-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyloxolane?
The IUPAC name of 2-ethyl-5-methyloxolane (CID 523048) is 2-ethyl-5-methyloxolane.
What is the SMILES notation for 2-ethyl-5-methyloxolane?
The canonical SMILES for 2-ethyl-5-methyloxolane is CCC1CCC(C)O1.
What is the InChIKey of 2-ethyl-5-methyloxolane?
The InChIKey is UHMJZZUFLYFOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-7-5-4-6(2)8-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-5-methyloxolane?
2-ethyl-5-methyloxolane has a molecular weight of 114.19 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyloxolane is sourced from PubChem (CID 523048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).