3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione

C11H12O7 — CID 174972510

IUPAC3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione
SMILESC=CCC1CC(=O)OC1=O.O=C1CC(O)C(=O)O1
InChIInChI=1S/C7H8O3.C4H4O4/c1-2-3-5-4-6(8)10-7(5)9;5-2-1-3(6)8-4(2)7/h2,5H,1,3-4H2;2,5H,1H2
InChIKeyMHOZPHVRSQGRHN-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.53
Rot. Bonds2

About 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione

3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione (PubChem CID 174972510) has the molecular formula C11H12O7 and a molecular weight of 256.21 g/mol. Its IUPAC name is 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione.

Molecular Properties

Compound Name3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione
PubChem CID174972510
Molecular FormulaC11H12O7
Molecular Weight256.21 g/mol
Exact Mass256.06
IUPAC Name3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione
SMILESC=CCC1CC(=O)OC1=O.O=C1CC(O)C(=O)O1
InChIInChI=1S/C7H8O3.C4H4O4/c1-2-3-5-4-6(8)10-7(5)9;5-2-1-3(6)8-4(2)7/h2,5H,1,3-4H2;2,5H,1H2
InChIKeyMHOZPHVRSQGRHN-UHFFFAOYSA-N
XLogP-0.53
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxyoxolane-2,5-dione
CID 118327209
5-methylidene-3-prop-2-enyloxolan-2-one
CID 59050416
3-(3-prop-2-enylhexa-2,5-dienyl)oxolane-2,5-dione
CID 53436419
3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione
CID 12895833
but-3-enoic acid;chloroethene;3-hydroxyoxolane-2,5-dione;propa-1,2-diene
CID 174970889
3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763
3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione
CID 90159814
3-hydroxyoxolane-2,5-dione;2-methylidenebutanoic acid
CID 88814351
3-octa-2,4-dienyloxolane-2,5-dione
CID 153403981
3-(2-trimethylsilylpropyl)oxolane-2,5-dione
CID 59938370
3-(2-pent-4-enoxyethyl)oxolane-2,5-dione
CID 58444624
ethenyl acetate;3-hydroxyoxolane-2,5-dione;4-oxo-4-prop-2-enoxybut-2-enoic acid
CID 173313734

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione?
The IUPAC name of 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione (CID 174972510) is 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione.
What is the SMILES notation for 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione?
The canonical SMILES for 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione is C=CCC1CC(=O)OC1=O.O=C1CC(O)C(=O)O1.
What is the InChIKey of 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione?
The InChIKey is MHOZPHVRSQGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C4H4O4/c1-2-3-5-4-6(8)10-7(5)9;5-2-1-3(6)8-4(2)7/h2,5H,1,3-4H2;2,5H,1H2.
What are the key properties of 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione?
3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione has a molecular weight of 256.21 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione is sourced from PubChem (CID 174972510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).