5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole

C11H14O4 — CID 171395116

IUPAC5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
SMILES[2H]C([2H])([2H])OCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O4/c1-12-4-5-13-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6H,4-5,7-8H2,1H3/i1D3
InChIKeyJYIZNARXTPKVTI-FIBGUPNXSA-N
MW213.25 g/mol
LogP1.58
Rot. Bonds6

About 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole

5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole (PubChem CID 171395116) has the molecular formula C11H14O4 and a molecular weight of 213.25 g/mol. Its IUPAC name is 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
PubChem CID171395116
Molecular FormulaC11H14O4
Molecular Weight213.25 g/mol
Exact Mass213.11
IUPAC Name5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
SMILES[2H]C([2H])([2H])OCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O4/c1-12-4-5-13-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6H,4-5,7-8H2,1H3/i1D3
InChIKeyJYIZNARXTPKVTI-FIBGUPNXSA-N
XLogP1.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
CID 163959918
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
CID 62445733
1-(1,3-benzodioxol-5-ylmethoxy)pentan-2-one
CID 62043610
1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111843436
4-(1,3-benzodioxol-5-ylmethoxy)-1-thiophen-2-ylbutan-1-one
CID 62031244

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole?
The IUPAC name of 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole (CID 171395116) is 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole?
The canonical SMILES for 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole is [2H]C([2H])([2H])OCCOCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole?
The InChIKey is JYIZNARXTPKVTI-FIBGUPNXSA-N. The full InChI is InChI=1S/C11H14O4/c1-12-4-5-13-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6H,4-5,7-8H2,1H3/i1D3.
What are the key properties of 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole?
5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole has a molecular weight of 213.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole is sourced from PubChem (CID 171395116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).