4-methyloxane;3-methyloxolane

C11H22O2 — CID 143592122

IUPAC4-methyloxane;3-methyloxolane
SMILESCC1CCOC1.CC1CCOCC1
InChIInChI=1S/C6H12O.C5H10O/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyIHPBPSRSOWIUQB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.48
Rot. Bonds

About 4-methyloxane;3-methyloxolane

4-methyloxane;3-methyloxolane (PubChem CID 143592122) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methyloxane;3-methyloxolane.

Molecular Properties

Compound Name4-methyloxane;3-methyloxolane
PubChem CID143592122
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methyloxane;3-methyloxolane
SMILESCC1CCOC1.CC1CCOCC1
InChIInChI=1S/C6H12O.C5H10O/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyIHPBPSRSOWIUQB-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyloxane;3-methyloxolane 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-methyloxane;3-methyloxolane?
The IUPAC name of 4-methyloxane;3-methyloxolane (CID 143592122) is 4-methyloxane;3-methyloxolane.
What is the SMILES notation for 4-methyloxane;3-methyloxolane?
The canonical SMILES for 4-methyloxane;3-methyloxolane is CC1CCOC1.CC1CCOCC1.
What is the InChIKey of 4-methyloxane;3-methyloxolane?
The InChIKey is IHPBPSRSOWIUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H10O/c1-6-2-4-7-5-3-6;1-5-2-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3.
What are the key properties of 4-methyloxane;3-methyloxolane?
4-methyloxane;3-methyloxolane has a molecular weight of 186.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxane;3-methyloxolane is sourced from PubChem (CID 143592122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).