3-ethyl-2-methyloxolane

C7H14O — CID 21062445

IUPAC3-ethyl-2-methyloxolane
SMILESCCC1CCOC1C
InChIInChI=1S/C7H14O/c1-3-7-4-5-8-6(7)2/h6-7H,3-5H2,1-2H3
InChIKeyQUCMKSGUJSMHIQ-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds1

About 3-ethyl-2-methyloxolane

3-ethyl-2-methyloxolane (PubChem CID 21062445) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-ethyl-2-methyloxolane.

Molecular Properties

Compound Name3-ethyl-2-methyloxolane
PubChem CID21062445
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-ethyl-2-methyloxolane
SMILESCCC1CCOC1C
InChIInChI=1S/C7H14O/c1-3-7-4-5-8-6(7)2/h6-7H,3-5H2,1-2H3
InChIKeyQUCMKSGUJSMHIQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyloxolane?
The IUPAC name of 3-ethyl-2-methyloxolane (CID 21062445) is 3-ethyl-2-methyloxolane.
What is the SMILES notation for 3-ethyl-2-methyloxolane?
The canonical SMILES for 3-ethyl-2-methyloxolane is CCC1CCOC1C.
What is the InChIKey of 3-ethyl-2-methyloxolane?
The InChIKey is QUCMKSGUJSMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-7-4-5-8-6(7)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methyloxolane?
3-ethyl-2-methyloxolane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyloxolane is sourced from PubChem (CID 21062445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).