2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane

C12H22O2 — CID 176604881

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane
SMILESCCC1(COC=C(C)C)CCCCO1
InChIInChI=1S/C12H22O2/c1-4-12(7-5-6-8-14-12)10-13-9-11(2)3/h9H,4-8,10H2,1-3H3
InChIKeyUNIGHLFSQDIJCI-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane

2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane (PubChem CID 176604881) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane
PubChem CID176604881
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane
SMILESCCC1(COC=C(C)C)CCCCO1
InChIInChI=1S/C12H22O2/c1-4-12(7-5-6-8-14-12)10-13-9-11(2)3/h9H,4-8,10H2,1-3H3
InChIKeyUNIGHLFSQDIJCI-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane (CID 176604881) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane is CCC1(COC=C(C)C)CCCCO1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane?
The InChIKey is UNIGHLFSQDIJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-12(7-5-6-8-14-12)10-13-9-11(2)3/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane is sourced from PubChem (CID 176604881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).