2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol

C16H24O6 — CID 66973912

IUPAC2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol
SMILESCCCCOCCOCCOCC1Oc2ccc(O)cc2O1
InChIInChI=1S/C16H24O6/c1-2-3-6-18-7-8-19-9-10-20-12-16-21-14-5-4-13(17)11-15(14)22-16/h4-5,11,16-17H,2-3,6-10,12H2,1H3
InChIKeyIMIFUDHAILCXPG-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.34
Rot. Bonds11

About 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol

2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol (PubChem CID 66973912) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol
PubChem CID66973912
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol
SMILESCCCCOCCOCCOCC1Oc2ccc(O)cc2O1
InChIInChI=1S/C16H24O6/c1-2-3-6-18-7-8-19-9-10-20-12-16-21-14-5-4-13(17)11-15(14)22-16/h4-5,11,16-17H,2-3,6-10,12H2,1H3
InChIKeyIMIFUDHAILCXPG-UHFFFAOYSA-N
XLogP2.34
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol (CID 66973912) is 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol is CCCCOCCOCCOCC1Oc2ccc(O)cc2O1.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol?
The InChIKey is IMIFUDHAILCXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-2-3-6-18-7-8-19-9-10-20-12-16-21-14-5-4-13(17)11-15(14)22-16/h4-5,11,16-17H,2-3,6-10,12H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol?
2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol has a molecular weight of 312.36 g/mol, XLogP of 2.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 66973912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).