3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione

C11H14O3 — CID 86054335

IUPAC3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione
SMILESC=CCC1(CC(=C)C)C(=O)COC1=O
InChIInChI=1S/C11H14O3/c1-4-5-11(6-8(2)3)9(12)7-14-10(11)13/h4H,1-2,5-7H2,3H3
InChIKeyVVDIHUDYXUIPQA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.64
Rot. Bonds4

About 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione

3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione (PubChem CID 86054335) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione
PubChem CID86054335
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione
SMILESC=CCC1(CC(=C)C)C(=O)COC1=O
InChIInChI=1S/C11H14O3/c1-4-5-11(6-8(2)3)9(12)7-14-10(11)13/h4H,1-2,5-7H2,3H3
InChIKeyVVDIHUDYXUIPQA-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3,3-Bis(prop-2-enyl)oxolane-2,4-dione
CID 11217589
3-[(2Z)-2,3-dimethylpenta-2,4-dienyl]-3-prop-2-enyloxolane-2,4-dione
CID 134856786
3-Acetyl-3-but-3-enyloxolan-2-one
CID 14491865
8-Methyl-9-methylidene-2-oxaspiro[4.4]non-7-ene-1,4-dione
CID 134853203
5-Butyl-3,3-bis(prop-2-enyl)oxolane-2,4-dione
CID 86054332
8-Methyl-2-oxaspiro[4.4]non-7-ene-1,4-dione
CID 86054341
3-Methyl-4-methylidene-3-propanoyloxolan-2-one
CID 86219808
5-Ethyl-3,3-bis(prop-2-enyl)oxolane-2,4-dione
CID 102586945
3-Ethyl-2-oxaspiro[4.4]non-7-ene-1,4-dione
CID 102586947
(3S,5R)-5-methyl-3-prop-2-enyloxolane-2,4-dione
CID 9989439
(3S,5S)-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione
CID 9989883
(3S,5R)-5-propan-2-yl-3-prop-2-enyloxolane-2,4-dione
CID 10035258

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione?
The IUPAC name of 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione (CID 86054335) is 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione?
The canonical SMILES for 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione is C=CCC1(CC(=C)C)C(=O)COC1=O.
What is the InChIKey of 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione?
The InChIKey is VVDIHUDYXUIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-5-11(6-8(2)3)9(12)7-14-10(11)13/h4H,1-2,5-7H2,3H3.
What are the key properties of 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione?
3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-3-prop-2-enyloxolane-2,4-dione is sourced from PubChem (CID 86054335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).