3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane

C12H22O2 — CID 176605354

IUPAC3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane
SMILESCCC1(COC=C(C)C)CCCOC1
InChIInChI=1S/C12H22O2/c1-4-12(6-5-7-13-9-12)10-14-8-11(2)3/h8H,4-7,9-10H2,1-3H3
InChIKeyQHCHIQBMULHRJH-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds4

About 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane

3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane (PubChem CID 176605354) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane
PubChem CID176605354
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane
SMILESCCC1(COC=C(C)C)CCCOC1
InChIInChI=1S/C12H22O2/c1-4-12(6-5-7-13-9-12)10-14-8-11(2)3/h8H,4-7,9-10H2,1-3H3
InChIKeyQHCHIQBMULHRJH-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

3-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
3-(Ethenoxymethyl)-3-ethyloxane
CID 161788767
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603191
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
3-(Cyclohexylidenemethoxymethyl)-3-methyloxane
CID 176603279
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
4-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603549
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603637
3-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176603720
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane?
The IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane (CID 176605354) is 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane?
The canonical SMILES for 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane is CCC1(COC=C(C)C)CCCOC1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane?
The InChIKey is QHCHIQBMULHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-12(6-5-7-13-9-12)10-14-8-11(2)3/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane?
3-ethyl-3-(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 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxane is sourced from PubChem (CID 176605354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).