5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole

C12H16O5 — CID 13257944

IUPAC5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
SMILESCOCCOCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C12H16O5/c1-13-4-5-14-8-15-7-10-2-3-11-12(6-10)17-9-16-11/h2-3,6H,4-5,7-9H2,1H3
InChIKeyFYQOKMBZCOFQMY-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.55
Rot. Bonds7

About 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole

5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole (PubChem CID 13257944) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
PubChem CID13257944
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
SMILESCOCCOCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C12H16O5/c1-13-4-5-14-8-15-7-10-2-3-11-12(6-10)17-9-16-11/h2-3,6H,4-5,7-9H2,1H3
InChIKeyFYQOKMBZCOFQMY-UHFFFAOYSA-N
XLogP1.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole with MolForge

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

Launch Full Analysis

Related Compounds

5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
CID 171395116
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
CID 62445733
5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
CID 163959918
1-(1,3-benzodioxol-5-ylmethoxy)pentan-2-one
CID 62043610
5-(2-ethoxyethyl)-1,3-benzodioxole
CID 122402641
4-(1,3-benzodioxol-5-ylmethoxy)-2-methylbut-2-enoic acid
CID 77074985
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole (CID 13257944) is 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole is COCCOCOCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole?
The InChIKey is FYQOKMBZCOFQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-13-4-5-14-8-15-7-10-2-3-11-12(6-10)17-9-16-11/h2-3,6H,4-5,7-9H2,1H3.
What are the key properties of 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole?
5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole has a molecular weight of 240.25 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 13257944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).