4-ethyl-4-methyl-2-methylideneoxolane

C8H14O — CID 122595927

IUPAC4-ethyl-4-methyl-2-methylideneoxolane
SMILESC=C1CC(C)(CC)CO1
InChIInChI=1S/C8H14O/c1-4-8(3)5-7(2)9-6-8/h2,4-6H2,1,3H3
InChIKeyBNHAKMOQIWZWJM-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

About 4-ethyl-4-methyl-2-methylideneoxolane

4-ethyl-4-methyl-2-methylideneoxolane (PubChem CID 122595927) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-ethyl-4-methyl-2-methylideneoxolane.

Molecular Properties

Compound Name4-ethyl-4-methyl-2-methylideneoxolane
PubChem CID122595927
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-ethyl-4-methyl-2-methylideneoxolane
SMILESC=C1CC(C)(CC)CO1
InChIInChI=1S/C8H14O/c1-4-8(3)5-7(2)9-6-8/h2,4-6H2,1,3H3
InChIKeyBNHAKMOQIWZWJM-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-4-methyl-2-methylideneoxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-2-methylideneoxolane?
The IUPAC name of 4-ethyl-4-methyl-2-methylideneoxolane (CID 122595927) is 4-ethyl-4-methyl-2-methylideneoxolane.
What is the SMILES notation for 4-ethyl-4-methyl-2-methylideneoxolane?
The canonical SMILES for 4-ethyl-4-methyl-2-methylideneoxolane is C=C1CC(C)(CC)CO1.
What is the InChIKey of 4-ethyl-4-methyl-2-methylideneoxolane?
The InChIKey is BNHAKMOQIWZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8(3)5-7(2)9-6-8/h2,4-6H2,1,3H3.
What are the key properties of 4-ethyl-4-methyl-2-methylideneoxolane?
4-ethyl-4-methyl-2-methylideneoxolane has a molecular weight of 126.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-2-methylideneoxolane is sourced from PubChem (CID 122595927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).