3-(2-methylprop-1-enyl)oxolane-2,5-dione

C8H10O3 — CID 15165158

IUPAC3-(2-methylprop-1-enyl)oxolane-2,5-dione
SMILESCC(C)=CC1CC(=O)OC1=O
InChIInChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h3,6H,4H2,1-2H3
InChIKeyFWAVAVCRVWBJRP-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.04
Rot. Bonds1

About 3-(2-methylprop-1-enyl)oxolane-2,5-dione

3-(2-methylprop-1-enyl)oxolane-2,5-dione (PubChem CID 15165158) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-(2-methylprop-1-enyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(2-methylprop-1-enyl)oxolane-2,5-dione
PubChem CID15165158
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-(2-methylprop-1-enyl)oxolane-2,5-dione
SMILESCC(C)=CC1CC(=O)OC1=O
InChIInChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h3,6H,4H2,1-2H3
InChIKeyFWAVAVCRVWBJRP-UHFFFAOYSA-N
XLogP1.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.04
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

1-Octenyl succinic anhydride
CID 5362721
Nonenylsuccinic anhydride
CID 5354806
3,3,4-Tris(2-methylprop-1-en-1-yl)oxolane-2,5-dione
CID 115481
2-Buten-1-ylsuccinic Anhydride
CID 5365628
2,5-Furandione, 3-(2-hexen-1-yl)dihydro-
CID 112055
3-Octenylsuccinic anhydride
CID 24442
Hex-2-enylsuccinic anhydride
CID 6437721
3-Non-1-enyloxolane-2,5-dione
CID 227801
Decenylsuccinic Anhydride
CID 227802
3-(Dec-1-en-1-yl)dihydrofuran-2,5-dione
CID 5354807
3-[(E)-hex-1-enyl]oxolane-2,5-dione
CID 6440038
Crotylsuccinic anhydride
CID 548964

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enyl)oxolane-2,5-dione?
The IUPAC name of 3-(2-methylprop-1-enyl)oxolane-2,5-dione (CID 15165158) is 3-(2-methylprop-1-enyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(2-methylprop-1-enyl)oxolane-2,5-dione?
The canonical SMILES for 3-(2-methylprop-1-enyl)oxolane-2,5-dione is CC(C)=CC1CC(=O)OC1=O.
What is the InChIKey of 3-(2-methylprop-1-enyl)oxolane-2,5-dione?
The InChIKey is FWAVAVCRVWBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h3,6H,4H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enyl)oxolane-2,5-dione?
3-(2-methylprop-1-enyl)oxolane-2,5-dione has a molecular weight of 154.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enyl)oxolane-2,5-dione is sourced from PubChem (CID 15165158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).