2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid

C10H10O6 — CID 102117093

IUPAC2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1OC(=O)/C(=C2/CCCO2)C1=O
InChIInChI=1S/C10H10O6/c11-7(12)4-6-9(13)8(10(14)16-6)5-2-1-3-15-5/h6H,1-4H2,(H,11,12)/b8-5-/t6-/m0/s1
InChIKeyKYLABXGOIXIJHD-HOYUYTIUSA-N
MW226.18 g/mol
LogP0.02
Rot. Bonds2

About 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid

2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid (PubChem CID 102117093) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid
PubChem CID102117093
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1OC(=O)/C(=C2/CCCO2)C1=O
InChIInChI=1S/C10H10O6/c11-7(12)4-6-9(13)8(10(14)16-6)5-2-1-3-15-5/h6H,1-4H2,(H,11,12)/b8-5-/t6-/m0/s1
InChIKeyKYLABXGOIXIJHD-HOYUYTIUSA-N
XLogP0.02
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid?
The IUPAC name of 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid (CID 102117093) is 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid is O=C(O)C[C@@H]1OC(=O)/C(=C2/CCCO2)C1=O.
What is the InChIKey of 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid?
The InChIKey is KYLABXGOIXIJHD-HOYUYTIUSA-N. The full InChI is InChI=1S/C10H10O6/c11-7(12)4-6-9(13)8(10(14)16-6)5-2-1-3-15-5/h6H,1-4H2,(H,11,12)/b8-5-/t6-/m0/s1.
What are the key properties of 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid?
2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid has a molecular weight of 226.18 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4Z)-3,5-dioxo-4-(oxolan-2-ylidene)oxolan-2-yl]acetic acid is sourced from PubChem (CID 102117093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).