5-(methoxymethoxymethyl)-1,3-benzodioxole

C10H12O4 — CID 20689919

IUPAC5-(methoxymethoxymethyl)-1,3-benzodioxole
SMILESCOCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O4/c1-11-6-12-5-8-2-3-9-10(4-8)14-7-13-9/h2-4H,5-7H2,1H3
InChIKeyMLVKUQIONFECGC-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.54
Rot. Bonds4

About 5-(methoxymethoxymethyl)-1,3-benzodioxole

5-(methoxymethoxymethyl)-1,3-benzodioxole (PubChem CID 20689919) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-(methoxymethoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(methoxymethoxymethyl)-1,3-benzodioxole
PubChem CID20689919
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-(methoxymethoxymethyl)-1,3-benzodioxole
SMILESCOCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O4/c1-11-6-12-5-8-2-3-9-10(4-8)14-7-13-9/h2-4H,5-7H2,1H3
InChIKeyMLVKUQIONFECGC-UHFFFAOYSA-N
XLogP1.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
CID 13257944
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
CID 171395116
3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
1,3-benzodioxol-5-ylmethyl cyanate
CID 71424402
5-(difluoromethoxymethyl)-1,3-benzodioxole
CID 162716617
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-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
5-(1,3-benzodioxol-5-ylmethoxymethyl)-2-chloroaniline
CID 43349968

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(methoxymethoxymethyl)-1,3-benzodioxole (CID 20689919) is 5-(methoxymethoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(methoxymethoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(methoxymethoxymethyl)-1,3-benzodioxole is COCOCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(methoxymethoxymethyl)-1,3-benzodioxole?
The InChIKey is MLVKUQIONFECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-11-6-12-5-8-2-3-9-10(4-8)14-7-13-9/h2-4H,5-7H2,1H3.
What are the key properties of 5-(methoxymethoxymethyl)-1,3-benzodioxole?
5-(methoxymethoxymethyl)-1,3-benzodioxole has a molecular weight of 196.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 20689919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).