4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one

C10H14O7 — CID 130415422

IUPAC4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1CCC(COCOCC2COC(=O)O2)O1
InChIInChI=1S/C10H14O7/c11-9-2-1-7(16-9)3-13-6-14-4-8-5-15-10(12)17-8/h7-8H,1-6H2
InChIKeyPWFYVCCSMUMSCA-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.22
Rot. Bonds6

About 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one

4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one (PubChem CID 130415422) has the molecular formula C10H14O7 and a molecular weight of 246.21 g/mol. Its IUPAC name is 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one
PubChem CID130415422
Molecular FormulaC10H14O7
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one
SMILESO=C1CCC(COCOCC2COC(=O)O2)O1
InChIInChI=1S/C10H14O7/c11-9-2-1-7(16-9)3-13-6-14-4-8-5-15-10(12)17-8/h7-8H,1-6H2
InChIKeyPWFYVCCSMUMSCA-UHFFFAOYSA-N
XLogP0.22
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one (CID 130415422) is 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one is O=C1CCC(COCOCC2COC(=O)O2)O1.
What is the InChIKey of 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one?
The InChIKey is PWFYVCCSMUMSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O7/c11-9-2-1-7(16-9)3-13-6-14-4-8-5-15-10(12)17-8/h7-8H,1-6H2.
What are the key properties of 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one?
4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 246.21 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 130415422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).