3-prop-1-en-2-yloxyoxolan-2-one

C7H10O3 — CID 145146780

IUPAC3-prop-1-en-2-yloxyoxolan-2-one
SMILESC=C(C)OC1CCOC1=O
InChIInChI=1S/C7H10O3/c1-5(2)10-6-3-4-9-7(6)8/h6H,1,3-4H2,2H3
InChIKeyOOXOWQQUJDLCMG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds2

About 3-prop-1-en-2-yloxyoxolan-2-one

3-prop-1-en-2-yloxyoxolan-2-one (PubChem CID 145146780) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-prop-1-en-2-yloxyoxolan-2-one.

Molecular Properties

Compound Name3-prop-1-en-2-yloxyoxolan-2-one
PubChem CID145146780
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-prop-1-en-2-yloxyoxolan-2-one
SMILESC=C(C)OC1CCOC1=O
InChIInChI=1S/C7H10O3/c1-5(2)10-6-3-4-9-7(6)8/h6H,1,3-4H2,2H3
InChIKeyOOXOWQQUJDLCMG-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
CID 70669312
3-(3,3-dimethylpent-1-en-2-yloxy)oxolan-2-one
CID 138466131
[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643847
2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
CID 20643849
2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118535175
(2-oxooxolan-3-yl) (E)-2,2-dimethyl-4-(2-methylprop-2-enoyloxy)pent-3-enoate
CID 173471952
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyoxolan-2-one
CID 143349337
(3S)-3-phosphanyloxyoxolan-2-one
CID 118151828
(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate
CID 58225852
[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate
CID 8608213
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
CID 2122814

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yloxyoxolan-2-one?
The IUPAC name of 3-prop-1-en-2-yloxyoxolan-2-one (CID 145146780) is 3-prop-1-en-2-yloxyoxolan-2-one.
What is the SMILES notation for 3-prop-1-en-2-yloxyoxolan-2-one?
The canonical SMILES for 3-prop-1-en-2-yloxyoxolan-2-one is C=C(C)OC1CCOC1=O.
What is the InChIKey of 3-prop-1-en-2-yloxyoxolan-2-one?
The InChIKey is OOXOWQQUJDLCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(2)10-6-3-4-9-7(6)8/h6H,1,3-4H2,2H3.
What are the key properties of 3-prop-1-en-2-yloxyoxolan-2-one?
3-prop-1-en-2-yloxyoxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yloxyoxolan-2-one is sourced from PubChem (CID 145146780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).