3-methoxyprop-1-ene;oxolane

C8H16O2 — CID 175033291

IUPAC3-methoxyprop-1-ene;oxolane
SMILESC1CCOC1.C=CCOC
InChIInChI=1S/2C4H8O/c1-2-4-5-3-1;1-3-4-5-2/h1-4H2;3H,1,4H2,2H3
InChIKeyLRIFHDKEUPJJEK-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.62
Rot. Bonds2

About 3-methoxyprop-1-ene;oxolane

3-methoxyprop-1-ene;oxolane (PubChem CID 175033291) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methoxyprop-1-ene;oxolane.

Molecular Properties

Compound Name3-methoxyprop-1-ene;oxolane
PubChem CID175033291
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methoxyprop-1-ene;oxolane
SMILESC1CCOC1.C=CCOC
InChIInChI=1S/2C4H8O/c1-2-4-5-3-1;1-3-4-5-2/h1-4H2;3H,1,4H2,2H3
InChIKeyLRIFHDKEUPJJEK-UHFFFAOYSA-N
XLogP1.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyprop-1-ene;oxolane?
The IUPAC name of 3-methoxyprop-1-ene;oxolane (CID 175033291) is 3-methoxyprop-1-ene;oxolane.
What is the SMILES notation for 3-methoxyprop-1-ene;oxolane?
The canonical SMILES for 3-methoxyprop-1-ene;oxolane is C1CCOC1.C=CCOC.
What is the InChIKey of 3-methoxyprop-1-ene;oxolane?
The InChIKey is LRIFHDKEUPJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O/c1-2-4-5-3-1;1-3-4-5-2/h1-4H2;3H,1,4H2,2H3.
What are the key properties of 3-methoxyprop-1-ene;oxolane?
3-methoxyprop-1-ene;oxolane has a molecular weight of 144.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-1-ene;oxolane is sourced from PubChem (CID 175033291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).