4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one

C8H12O5 — CID 11769273

IUPAC4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one
SMILESC=COCCOCC1COC(=O)O1
InChIInChI=1S/C8H12O5/c1-2-10-3-4-11-5-7-6-12-8(9)13-7/h2,7H,1,3-6H2
InChIKeyFHFDINGSOWQOII-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.70
Rot. Bonds6

About 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one

4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one (PubChem CID 11769273) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one
PubChem CID11769273
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one
SMILESC=COCCOCC1COC(=O)O1
InChIInChI=1S/C8H12O5/c1-2-10-3-4-11-5-7-6-12-8(9)13-7/h2,7H,1,3-6H2
InChIKeyFHFDINGSOWQOII-UHFFFAOYSA-N
XLogP0.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one (CID 11769273) is 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one is C=COCCOCC1COC(=O)O1.
What is the InChIKey of 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is FHFDINGSOWQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-2-10-3-4-11-5-7-6-12-8(9)13-7/h2,7H,1,3-6H2.
What are the key properties of 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one?
4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 188.18 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenoxyethoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 11769273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).