4-ethyl-2-methylideneoxolane

C7H12O — CID 122595912

IUPAC4-ethyl-2-methylideneoxolane
SMILESC=C1CC(CC)CO1
InChIInChI=1S/C7H12O/c1-3-7-4-6(2)8-5-7/h7H,2-5H2,1H3
InChIKeyTXXMTUNDVZYYBL-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds1

About 4-ethyl-2-methylideneoxolane

4-ethyl-2-methylideneoxolane (PubChem CID 122595912) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4-ethyl-2-methylideneoxolane.

Molecular Properties

Compound Name4-ethyl-2-methylideneoxolane
PubChem CID122595912
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name4-ethyl-2-methylideneoxolane
SMILESC=C1CC(CC)CO1
InChIInChI=1S/C7H12O/c1-3-7-4-6(2)8-5-7/h7H,2-5H2,1H3
InChIKeyTXXMTUNDVZYYBL-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylideneoxolane?
The IUPAC name of 4-ethyl-2-methylideneoxolane (CID 122595912) is 4-ethyl-2-methylideneoxolane.
What is the SMILES notation for 4-ethyl-2-methylideneoxolane?
The canonical SMILES for 4-ethyl-2-methylideneoxolane is C=C1CC(CC)CO1.
What is the InChIKey of 4-ethyl-2-methylideneoxolane?
The InChIKey is TXXMTUNDVZYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7-4-6(2)8-5-7/h7H,2-5H2,1H3.
What are the key properties of 4-ethyl-2-methylideneoxolane?
4-ethyl-2-methylideneoxolane has a molecular weight of 112.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylideneoxolane is sourced from PubChem (CID 122595912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).