ethane;ethene;methanol;4-methyloxane

C13H30O2 — CID 143101227

IUPACethane;ethene;methanol;4-methyloxane
SMILESC=C.C=C.CC.CC1CCOCC1.CO
InChIInChI=1S/C6H12O.C2H6.2C2H4.CH4O/c1-6-2-4-7-5-3-6;4*1-2/h6H,2-5H2,1H3;1-2H3;2*1-2H2;2H,1H3
InChIKeyZEOJZVFZDRTUIA-UHFFFAOYSA-N
MW218.38 g/mol
LogP3.67
Rot. Bonds

About ethane;ethene;methanol;4-methyloxane

ethane;ethene;methanol;4-methyloxane (PubChem CID 143101227) has the molecular formula C13H30O2 and a molecular weight of 218.38 g/mol. Its IUPAC name is ethane;ethene;methanol;4-methyloxane.

Molecular Properties

Compound Nameethane;ethene;methanol;4-methyloxane
PubChem CID143101227
Molecular FormulaC13H30O2
Molecular Weight218.38 g/mol
Exact Mass218.22
IUPAC Nameethane;ethene;methanol;4-methyloxane
SMILESC=C.C=C.CC.CC1CCOCC1.CO
InChIInChI=1S/C6H12O.C2H6.2C2H4.CH4O/c1-6-2-4-7-5-3-6;4*1-2/h6H,2-5H2,1H3;1-2H3;2*1-2H2;2H,1H3
InChIKeyZEOJZVFZDRTUIA-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;ethene;methanol;4-methyloxane 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 ethane;ethene;methanol;4-methyloxane?
The IUPAC name of ethane;ethene;methanol;4-methyloxane (CID 143101227) is ethane;ethene;methanol;4-methyloxane.
What is the SMILES notation for ethane;ethene;methanol;4-methyloxane?
The canonical SMILES for ethane;ethene;methanol;4-methyloxane is C=C.C=C.CC.CC1CCOCC1.CO.
What is the InChIKey of ethane;ethene;methanol;4-methyloxane?
The InChIKey is ZEOJZVFZDRTUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6.2C2H4.CH4O/c1-6-2-4-7-5-3-6;4*1-2/h6H,2-5H2,1H3;1-2H3;2*1-2H2;2H,1H3.
What are the key properties of ethane;ethene;methanol;4-methyloxane?
ethane;ethene;methanol;4-methyloxane has a molecular weight of 218.38 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methanol;4-methyloxane is sourced from PubChem (CID 143101227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).