3-[2-(2-methylprop-1-enoxy)ethyl]oxane

C11H20O2 — CID 176604943

IUPAC3-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1CCCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-13-7-5-11-4-3-6-12-9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyLROHKNHWVPGNBR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

About 3-[2-(2-methylprop-1-enoxy)ethyl]oxane

3-[2-(2-methylprop-1-enoxy)ethyl]oxane (PubChem CID 176604943) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[2-(2-methylprop-1-enoxy)ethyl]oxane.

Molecular Properties

Compound Name3-[2-(2-methylprop-1-enoxy)ethyl]oxane
PubChem CID176604943
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COCCC1CCCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-13-7-5-11-4-3-6-12-9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyLROHKNHWVPGNBR-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methylprop-1-enoxymethyl)heptane
CID 87667908
2-Ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151135874
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603165
4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603447
4-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603549
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
3-(2-Ethenoxyethyl)oxane
CID 176604058
4-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604140
3-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604253
3-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176604413
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604456

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]oxane (CID 176604943) is 3-[2-(2-methylprop-1-enoxy)ethyl]oxane.
What is the SMILES notation for 3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The canonical SMILES for 3-[2-(2-methylprop-1-enoxy)ethyl]oxane is CC(C)=COCCC1CCCOC1.
What is the InChIKey of 3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
The InChIKey is LROHKNHWVPGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-13-7-5-11-4-3-6-12-9-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 3-[2-(2-methylprop-1-enoxy)ethyl]oxane?
3-[2-(2-methylprop-1-enoxy)ethyl]oxane 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-[2-(2-methylprop-1-enoxy)ethyl]oxane is sourced from PubChem (CID 176604943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).