2-(prop-2-enoxymethyl)oxolane

C8H14O2 — CID 12506355

IUPAC2-(prop-2-enoxymethyl)oxolane
SMILESC=CCOCC1CCCO1
InChIInChI=1S/C8H14O2/c1-2-5-9-7-8-4-3-6-10-8/h2,8H,1,3-7H2
InChIKeyBITHTZXVTYEYNV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds4

About 2-(prop-2-enoxymethyl)oxolane

2-(prop-2-enoxymethyl)oxolane (PubChem CID 12506355) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)oxolane
PubChem CID12506355
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(prop-2-enoxymethyl)oxolane
SMILESC=CCOCC1CCCO1
InChIInChI=1S/C8H14O2/c1-2-5-9-7-8-4-3-6-10-8/h2,8H,1,3-7H2
InChIKeyBITHTZXVTYEYNV-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)oxolane?
The IUPAC name of 2-(prop-2-enoxymethyl)oxolane (CID 12506355) is 2-(prop-2-enoxymethyl)oxolane.
What is the SMILES notation for 2-(prop-2-enoxymethyl)oxolane?
The canonical SMILES for 2-(prop-2-enoxymethyl)oxolane is C=CCOCC1CCCO1.
What is the InChIKey of 2-(prop-2-enoxymethyl)oxolane?
The InChIKey is BITHTZXVTYEYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-5-9-7-8-4-3-6-10-8/h2,8H,1,3-7H2.
What are the key properties of 2-(prop-2-enoxymethyl)oxolane?
2-(prop-2-enoxymethyl)oxolane has a molecular weight of 142.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)oxolane is sourced from PubChem (CID 12506355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).