4-ethyl-1,2-bis(methoxymethoxy)benzene

C12H18O4 — CID 59060180

IUPAC4-ethyl-1,2-bis(methoxymethoxy)benzene
SMILESCCc1ccc(OCOC)c(OCOC)c1
InChIInChI=1S/C12H18O4/c1-4-10-5-6-11(15-8-13-2)12(7-10)16-9-14-3/h5-7H,4,8-9H2,1-3H3
InChIKeyLUEUOTBZMRODRA-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.21
Rot. Bonds7

About 4-ethyl-1,2-bis(methoxymethoxy)benzene

4-ethyl-1,2-bis(methoxymethoxy)benzene (PubChem CID 59060180) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-ethyl-1,2-bis(methoxymethoxy)benzene.

Molecular Properties

Compound Name4-ethyl-1,2-bis(methoxymethoxy)benzene
PubChem CID59060180
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-ethyl-1,2-bis(methoxymethoxy)benzene
SMILESCCc1ccc(OCOC)c(OCOC)c1
InChIInChI=1S/C12H18O4/c1-4-10-5-6-11(15-8-13-2)12(7-10)16-9-14-3/h5-7H,4,8-9H2,1-3H3
InChIKeyLUEUOTBZMRODRA-UHFFFAOYSA-N
XLogP2.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
4-ethenyl-1,2-bis(methoxymethoxy)benzene
CID 57430947
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
4-(isocyanatomethyl)-2-methoxy-1-(methoxymethoxy)benzene
CID 22507326
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-bis(methoxymethoxy)benzene?
The IUPAC name of 4-ethyl-1,2-bis(methoxymethoxy)benzene (CID 59060180) is 4-ethyl-1,2-bis(methoxymethoxy)benzene.
What is the SMILES notation for 4-ethyl-1,2-bis(methoxymethoxy)benzene?
The canonical SMILES for 4-ethyl-1,2-bis(methoxymethoxy)benzene is CCc1ccc(OCOC)c(OCOC)c1.
What is the InChIKey of 4-ethyl-1,2-bis(methoxymethoxy)benzene?
The InChIKey is LUEUOTBZMRODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-10-5-6-11(15-8-13-2)12(7-10)16-9-14-3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 4-ethyl-1,2-bis(methoxymethoxy)benzene?
4-ethyl-1,2-bis(methoxymethoxy)benzene has a molecular weight of 226.27 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-bis(methoxymethoxy)benzene is sourced from PubChem (CID 59060180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).