3-(2-methylprop-1-enoxy)oxolane

C8H14O2 — CID 176603502

IUPAC3-(2-methylprop-1-enoxy)oxolane
SMILESCC(C)=COC1CCOC1
InChIInChI=1S/C8H14O2/c1-7(2)5-10-8-3-4-9-6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyXZDSHBGHCYXQAQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds2

About 3-(2-methylprop-1-enoxy)oxolane

3-(2-methylprop-1-enoxy)oxolane (PubChem CID 176603502) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxy)oxolane.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxy)oxolane
PubChem CID176603502
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(2-methylprop-1-enoxy)oxolane
SMILESCC(C)=COC1CCOC1
InChIInChI=1S/C8H14O2/c1-7(2)5-10-8-3-4-9-6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyXZDSHBGHCYXQAQ-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
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

3,4-Bis(prop-1-enoxy)oxolane
CID 54398975
3-(2-Methylprop-2-enoxy)oxolane
CID 57959278
1-[2,3-Bis(2-methylprop-1-enoxy)propoxy]-2-methylprop-1-ene
CID 87659581
3-Prop-1-en-2-yloxyoxolane
CID 141832510
2-[1-(2-Methylprop-1-enoxy)ethyl]oxirane
CID 176604373
3-[(E)-prop-1-enoxy]oxolane
CID 176604404
2-[1-(2-Methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604601

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxy)oxolane?
The IUPAC name of 3-(2-methylprop-1-enoxy)oxolane (CID 176603502) is 3-(2-methylprop-1-enoxy)oxolane.
What is the SMILES notation for 3-(2-methylprop-1-enoxy)oxolane?
The canonical SMILES for 3-(2-methylprop-1-enoxy)oxolane is CC(C)=COC1CCOC1.
What is the InChIKey of 3-(2-methylprop-1-enoxy)oxolane?
The InChIKey is XZDSHBGHCYXQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)5-10-8-3-4-9-6-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxy)oxolane?
3-(2-methylprop-1-enoxy)oxolane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enoxy)oxolane is sourced from PubChem (CID 176603502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).