ethene;2-methyl-1,4-dioxane

C7H14O2 — CID 160622715

IUPACethene;2-methyl-1,4-dioxane
SMILESC=C.CC1COCCO1
InChIInChI=1S/C5H10O2.C2H4/c1-5-4-6-2-3-7-5;1-2/h5H,2-4H2,1H3;1-2H2
InChIKeyRGXFJHCCFKSBGW-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.22
Rot. Bonds

About ethene;2-methyl-1,4-dioxane

ethene;2-methyl-1,4-dioxane (PubChem CID 160622715) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is ethene;2-methyl-1,4-dioxane.

Molecular Properties

Compound Nameethene;2-methyl-1,4-dioxane
PubChem CID160622715
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameethene;2-methyl-1,4-dioxane
SMILESC=C.CC1COCCO1
InChIInChI=1S/C5H10O2.C2H4/c1-5-4-6-2-3-7-5;1-2/h5H,2-4H2,1H3;1-2H2
InChIKeyRGXFJHCCFKSBGW-UHFFFAOYSA-N
XLogP1.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;2-methyl-1,4-dioxane with MolForge

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

Launch Full Analysis

Related Compounds

Dimethyl-1,4-dioxane
CID 32803
2,6-Dimethyl-1,4-dioxane
CID 24984
2-Methyl-1,4-dioxane
CID 13597081
2-Ethyl-5-methyl-1,4-dioxane
CID 40924
Ethyl dioxane
CID 19743370
2-Methyl-2,3-dihydro-1,4-dioxine
CID 13977927
1,2-Bis(ethenyloxy)propane
CID 15570361
4-Methyl-3,6-dioxaoct-7-ene
CID 17934856
(2S)-2-methyl-1,4-dioxane
CID 57674830
(2S)-2-ethyl-1,4-dioxane
CID 57973931
cis-2,5-Dimethyl-1,4-dioxane
CID 92277903
1,4-Dioxane, 2,6-dimethyl-, cis-
CID 13483803

Frequently Asked Questions

What is the IUPAC name of ethene;2-methyl-1,4-dioxane?
The IUPAC name of ethene;2-methyl-1,4-dioxane (CID 160622715) is ethene;2-methyl-1,4-dioxane.
What is the SMILES notation for ethene;2-methyl-1,4-dioxane?
The canonical SMILES for ethene;2-methyl-1,4-dioxane is C=C.CC1COCCO1.
What is the InChIKey of ethene;2-methyl-1,4-dioxane?
The InChIKey is RGXFJHCCFKSBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H4/c1-5-4-6-2-3-7-5;1-2/h5H,2-4H2,1H3;1-2H2.
What are the key properties of ethene;2-methyl-1,4-dioxane?
ethene;2-methyl-1,4-dioxane has a molecular weight of 130.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyl-1,4-dioxane is sourced from PubChem (CID 160622715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).