4-propylideneoxane

C8H14O — CID 123664494

IUPAC4-propylideneoxane
SMILESCCC=C1CCOCC1
InChIInChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h3H,2,4-7H2,1H3
InChIKeyOAUGDBBIMMOSQY-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds1

About 4-propylideneoxane

4-propylideneoxane (PubChem CID 123664494) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-propylideneoxane.

Molecular Properties

Compound Name4-propylideneoxane
PubChem CID123664494
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-propylideneoxane
SMILESCCC=C1CCOCC1
InChIInChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h3H,2,4-7H2,1H3
InChIKeyOAUGDBBIMMOSQY-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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-propylideneoxane?
The IUPAC name of 4-propylideneoxane (CID 123664494) is 4-propylideneoxane.
What is the SMILES notation for 4-propylideneoxane?
The canonical SMILES for 4-propylideneoxane is CCC=C1CCOCC1.
What is the InChIKey of 4-propylideneoxane?
The InChIKey is OAUGDBBIMMOSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-8-4-6-9-7-5-8/h3H,2,4-7H2,1H3.
What are the key properties of 4-propylideneoxane?
4-propylideneoxane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylideneoxane is sourced from PubChem (CID 123664494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).