4-prop-2-enyloxane

C8H14O — CID 58023197

IUPAC4-prop-2-enyloxane
SMILESC=CCC1CCOCC1
InChIInChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h2,8H,1,3-7H2
InChIKeyMOGRWZVUMDUGCA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds2

About 4-prop-2-enyloxane

4-prop-2-enyloxane (PubChem CID 58023197) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-prop-2-enyloxane.

Molecular Properties

Compound Name4-prop-2-enyloxane
PubChem CID58023197
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-prop-2-enyloxane
SMILESC=CCC1CCOCC1
InChIInChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h2,8H,1,3-7H2
InChIKeyMOGRWZVUMDUGCA-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-prop-2-enyloxane?
The IUPAC name of 4-prop-2-enyloxane (CID 58023197) is 4-prop-2-enyloxane.
What is the SMILES notation for 4-prop-2-enyloxane?
The canonical SMILES for 4-prop-2-enyloxane is C=CCC1CCOCC1.
What is the InChIKey of 4-prop-2-enyloxane?
The InChIKey is MOGRWZVUMDUGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h2,8H,1,3-7H2.
What are the key properties of 4-prop-2-enyloxane?
4-prop-2-enyloxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyloxane is sourced from PubChem (CID 58023197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).