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

C11H20O2 — CID 176603588

IUPAC3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
SMILESCCC1(COC=C(C)C)CCOC1
InChIInChI=1S/C11H20O2/c1-4-11(5-6-12-8-11)9-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyAKJQBTTUXBZZMX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

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

3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane (PubChem CID 176603588) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
PubChem CID176603588
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
SMILESCCC1(COC=C(C)C)CCOC1
InChIInChI=1S/C11H20O2/c1-4-11(5-6-12-8-11)9-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyAKJQBTTUXBZZMX-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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

3,3-Bis(2-methylprop-1-enoxymethyl)pentane
CID 87658857
3-Ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150120426
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
3-Methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603529
3-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176603768
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
3-[1-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176604867
4-Methyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176605019
3-(Ethenoxymethyl)-3-ethyloxolane
CID 176605176

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane?
The IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane (CID 176603588) is 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane?
The canonical SMILES for 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane is CCC1(COC=C(C)C)CCOC1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane?
The InChIKey is AKJQBTTUXBZZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(5-6-12-8-11)9-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane?
3-ethyl-3-(2-methylprop-1-enoxymethyl)oxolane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 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)oxolane is sourced from PubChem (CID 176603588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).