4-prop-2-enylideneoxane

C8H12O — CID 59255539

IUPAC4-prop-2-enylideneoxane
SMILESC=CC=C1CCOCC1
InChIInChI=1S/C8H12O/c1-2-3-8-4-6-9-7-5-8/h2-3H,1,4-7H2
InChIKeyCNPZEGMLEKURJC-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds1

About 4-prop-2-enylideneoxane

4-prop-2-enylideneoxane (PubChem CID 59255539) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 4-prop-2-enylideneoxane.

Molecular Properties

Compound Name4-prop-2-enylideneoxane
PubChem CID59255539
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name4-prop-2-enylideneoxane
SMILESC=CC=C1CCOCC1
InChIInChI=1S/C8H12O/c1-2-3-8-4-6-9-7-5-8/h2-3H,1,4-7H2
InChIKeyCNPZEGMLEKURJC-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylideneoxane?
The IUPAC name of 4-prop-2-enylideneoxane (CID 59255539) is 4-prop-2-enylideneoxane.
What is the SMILES notation for 4-prop-2-enylideneoxane?
The canonical SMILES for 4-prop-2-enylideneoxane is C=CC=C1CCOCC1.
What is the InChIKey of 4-prop-2-enylideneoxane?
The InChIKey is CNPZEGMLEKURJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-3-8-4-6-9-7-5-8/h2-3H,1,4-7H2.
What are the key properties of 4-prop-2-enylideneoxane?
4-prop-2-enylideneoxane has a molecular weight of 124.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylideneoxane is sourced from PubChem (CID 59255539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).