4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one

C14H16O9 — CID 139535336

IUPAC4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCc2ccc(COCC3COC(=O)O3)o2)O1
InChIInChI=1S/C14H16O9/c15-13-19-7-11(22-13)5-17-3-9-1-2-10(21-9)4-18-6-12-8-20-14(16)23-12/h1-2,11-12H,3-8H2
InChIKeyZKIYUJWISSXLHE-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.38
Rot. Bonds8

About 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one

4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one (PubChem CID 139535336) has the molecular formula C14H16O9 and a molecular weight of 328.27 g/mol. Its IUPAC name is 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
PubChem CID139535336
Molecular FormulaC14H16O9
Molecular Weight328.27 g/mol
Exact Mass328.08
IUPAC Name4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COCc2ccc(COCC3COC(=O)O3)o2)O1
InChIInChI=1S/C14H16O9/c15-13-19-7-11(22-13)5-17-3-9-1-2-10(21-9)4-18-6-12-8-20-14(16)23-12/h1-2,11-12H,3-8H2
InChIKeyZKIYUJWISSXLHE-UHFFFAOYSA-N
XLogP1.38
TPSA102.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one with MolForge

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Related Compounds

Hexyl 2-furoate
CID 61984
Furfuryl hexanoate
CID 557222
2,5-Bis(hydroxymethyl)furan diacetate
CID 4077187
Furfuryl 2-furoate
CID 69202
2-Furyl-1,3-dioxolane
CID 263158
Furfural propyleneglycol acetal
CID 96461
Diethyl 2,5-furandicarboxylate
CID 597465
Methanediol, 1-(2-furanyl)-, 1,1-diacetate
CID 69181
2,4-Monofurfurylidenesorbitol
CID 97951
2-(2-Furanyl)-1,3-dioxolane-4-methanol
CID 15573
2,4-Monofurfurylidene-tetra-O-methylsorbitol
CID 161535
Methyl 5-(methoxymethyl)furan-2-carboxylate
CID 4193918

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one (CID 139535336) is 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one is O=C1OCC(COCc2ccc(COCC3COC(=O)O3)o2)O1.
What is the InChIKey of 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one?
The InChIKey is ZKIYUJWISSXLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O9/c15-13-19-7-11(22-13)5-17-3-9-1-2-10(21-9)4-18-6-12-8-20-14(16)23-12/h1-2,11-12H,3-8H2.
What are the key properties of 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one?
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 328.27 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 139535336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).