4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane

C12H22O2 — CID 176602969

IUPAC4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane
SMILESCCC1(COC=C(C)C)CCOCC1
InChIInChI=1S/C12H22O2/c1-4-12(5-7-13-8-6-12)10-14-9-11(2)3/h9H,4-8,10H2,1-3H3
InChIKeyIDALWPMVQVDXIH-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds4

About 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane

4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane (PubChem CID 176602969) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane.

Molecular Properties

Compound Name4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane
PubChem CID176602969
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane
SMILESCCC1(COC=C(C)C)CCOCC1
InChIInChI=1S/C12H22O2/c1-4-12(5-7-13-8-6-12)10-14-9-11(2)3/h9H,4-8,10H2,1-3H3
InChIKeyIDALWPMVQVDXIH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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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Related Compounds

4-(Ethenoxymethyl)-4-methyloxane
CID 68560612
4-(Methoxymethyl)-4-prop-1-en-2-yloxane
CID 144557126
3-Ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150120426
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176602993
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194
4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603447
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane?
The IUPAC name of 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane (CID 176602969) is 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane.
What is the SMILES notation for 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane?
The canonical SMILES for 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane is CCC1(COC=C(C)C)CCOCC1.
What is the InChIKey of 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane?
The InChIKey is IDALWPMVQVDXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-12(5-7-13-8-6-12)10-14-9-11(2)3/h9H,4-8,10H2,1-3H3.
What are the key properties of 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane?
4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane is sourced from PubChem (CID 176602969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).