4-prop-1-en-2-yloxane

C8H14O — CID 88988807

IUPAC4-prop-1-en-2-yloxane
SMILESC=C(C)C1CCOCC1
InChIInChI=1S/C8H14O/c1-7(2)8-3-5-9-6-4-8/h8H,1,3-6H2,2H3
InChIKeyYYZFQGBNTWBWFX-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 4-prop-1-en-2-yloxane

4-prop-1-en-2-yloxane (PubChem CID 88988807) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-prop-1-en-2-yloxane.

Molecular Properties

Compound Name4-prop-1-en-2-yloxane
PubChem CID88988807
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-prop-1-en-2-yloxane
SMILESC=C(C)C1CCOCC1
InChIInChI=1S/C8H14O/c1-7(2)8-3-5-9-6-4-8/h8H,1,3-6H2,2H3
InChIKeyYYZFQGBNTWBWFX-UHFFFAOYSA-N
XLogP1.99
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 ≤ 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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Related Compounds

4-Ethenyloxane
CID 12411805
4-(3-Fluorobut-1-en-2-yl)oxane
CID 144024196
3-Fluoro-4-prop-1-en-2-yloxane
CID 147939897
4-Allyltetrahydro-2H-pyran
CID 58023197
4-Methyl-2-methylideneoxane
CID 58080316
2-Methyl-4-prop-1-en-2-yloxane
CID 68321307
5-Butoxy-2,4-dimethylpent-1-ene
CID 89205246
4-Methyl-2,3-dimethylideneoxane
CID 89252301
3-Methyl-4-methylideneoxane
CID 89371394
(4R)-4-methyl-3-methylideneoxane
CID 89799911
(2R)-2-methyl-4-prop-1-en-2-yloxane
CID 90152455
4-(3-Methylbut-1-en-2-yl)oxane
CID 91001292

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yloxane?
The IUPAC name of 4-prop-1-en-2-yloxane (CID 88988807) is 4-prop-1-en-2-yloxane.
What is the SMILES notation for 4-prop-1-en-2-yloxane?
The canonical SMILES for 4-prop-1-en-2-yloxane is C=C(C)C1CCOCC1.
What is the InChIKey of 4-prop-1-en-2-yloxane?
The InChIKey is YYZFQGBNTWBWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)8-3-5-9-6-4-8/h8H,1,3-6H2,2H3.
What are the key properties of 4-prop-1-en-2-yloxane?
4-prop-1-en-2-yloxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yloxane is sourced from PubChem (CID 88988807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).