3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione

C16H22O8 — CID 59414190

IUPAC3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione
SMILESCCC(OC)C1C(=O)OC(=O)C1CC(OC)C1C(=O)OC(=O)C1C
InChIInChI=1S/C16H22O8/c1-5-9(21-3)12-8(14(18)24-16(12)20)6-10(22-4)11-7(2)13(17)23-15(11)19/h7-12H,5-6H2,1-4H3
InChIKeyLFPGVZNHEILCII-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.47
Rot. Bonds7

About 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione

3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione (PubChem CID 59414190) has the molecular formula C16H22O8 and a molecular weight of 342.34 g/mol. Its IUPAC name is 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione
PubChem CID59414190
Molecular FormulaC16H22O8
Molecular Weight342.34 g/mol
Exact Mass342.13
IUPAC Name3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione
SMILESCCC(OC)C1C(=O)OC(=O)C1CC(OC)C1C(=O)OC(=O)C1C
InChIInChI=1S/C16H22O8/c1-5-9(21-3)12-8(14(18)24-16(12)20)6-10(22-4)11-7(2)13(17)23-15(11)19/h7-12H,5-6H2,1-4H3
InChIKeyLFPGVZNHEILCII-UHFFFAOYSA-N
XLogP0.47
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione 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 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione?
The IUPAC name of 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione (CID 59414190) is 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione is CCC(OC)C1C(=O)OC(=O)C1CC(OC)C1C(=O)OC(=O)C1C.
What is the InChIKey of 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione?
The InChIKey is LFPGVZNHEILCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8/c1-5-9(21-3)12-8(14(18)24-16(12)20)6-10(22-4)11-7(2)13(17)23-15(11)19/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione?
3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione has a molecular weight of 342.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxy-2-[4-(1-methoxypropyl)-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione is sourced from PubChem (CID 59414190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).