2-prop-1-en-2-yl-1,4-dioxane

C7H12O2 — CID 178036695

IUPAC2-prop-1-en-2-yl-1,4-dioxane
SMILESC=C(C)C1COCCO1
InChIInChI=1S/C7H12O2/c1-6(2)7-5-8-3-4-9-7/h7H,1,3-5H2,2H3
InChIKeyXWOVVVZBSPOGOB-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.98
Rot. Bonds1

About 2-prop-1-en-2-yl-1,4-dioxane

2-prop-1-en-2-yl-1,4-dioxane (PubChem CID 178036695) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-1,4-dioxane.

Molecular Properties

Compound Name2-prop-1-en-2-yl-1,4-dioxane
PubChem CID178036695
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-prop-1-en-2-yl-1,4-dioxane
SMILESC=C(C)C1COCCO1
InChIInChI=1S/C7H12O2/c1-6(2)7-5-8-3-4-9-7/h7H,1,3-5H2,2H3
InChIKeyXWOVVVZBSPOGOB-UHFFFAOYSA-N
XLogP0.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-dioxan-2-yl)prop-2-enoic acid
CID 19891795
2-(1-chloroethenyl)-1,4-dioxane;hydron
CID 174261802
2-[(Z)-1,2-difluoroethenyl]-1,4-dioxane
CID 23261789
2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-amino-N'-methyl-1,4-dioxane-2-carboximidamide
CID 62804930
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
1-(1,4-dioxan-2-yl)-3-methylbut-3-en-1-ol
CID 115277790
1-(1,4-dioxan-2-yl)-2-ethoxyethanone
CID 115278581
1-(1,4-dioxan-2-yl)tridecan-1-one
CID 65350783
1,4-dioxan-2-ol;prop-1-ene
CID 161403579
(3S)-3-prop-1-en-2-yloxane
CID 154017208

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-1,4-dioxane?
The IUPAC name of 2-prop-1-en-2-yl-1,4-dioxane (CID 178036695) is 2-prop-1-en-2-yl-1,4-dioxane.
What is the SMILES notation for 2-prop-1-en-2-yl-1,4-dioxane?
The canonical SMILES for 2-prop-1-en-2-yl-1,4-dioxane is C=C(C)C1COCCO1.
What is the InChIKey of 2-prop-1-en-2-yl-1,4-dioxane?
The InChIKey is XWOVVVZBSPOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)7-5-8-3-4-9-7/h7H,1,3-5H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-1,4-dioxane?
2-prop-1-en-2-yl-1,4-dioxane has a molecular weight of 128.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-1,4-dioxane is sourced from PubChem (CID 178036695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).