2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane

C12H20O2 — CID 15399794

IUPAC2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(CC)O1
InChIInChI=1S/C12H20O2/c1-5-9-13-11-8-7-10(3)12(4,6-2)14-11/h5,11H,1,3,6-9H2,2,4H3
InChIKeyOINVEIBAALMIPB-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds4

About 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane

2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane (PubChem CID 15399794) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane
PubChem CID15399794
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane
SMILESC=CCOC1CCC(=C)C(C)(CC)O1
InChIInChI=1S/C12H20O2/c1-5-9-13-11-8-7-10(3)12(4,6-2)14-11/h5,11H,1,3,6-9H2,2,4H3
InChIKeyOINVEIBAALMIPB-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane?
The IUPAC name of 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane (CID 15399794) is 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane.
What is the SMILES notation for 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane?
The canonical SMILES for 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane is C=CCOC1CCC(=C)C(C)(CC)O1.
What is the InChIKey of 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane?
The InChIKey is OINVEIBAALMIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-9-13-11-8-7-10(3)12(4,6-2)14-11/h5,11H,1,3,6-9H2,2,4H3.
What are the key properties of 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane?
2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane is sourced from PubChem (CID 15399794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).