2-ethyl-1,3-bis(methoxymethoxy)benzene

C12H18O4 — CID 141101427

IUPAC2-ethyl-1,3-bis(methoxymethoxy)benzene
SMILESCCc1c(OCOC)cccc1OCOC
InChIInChI=1S/C12H18O4/c1-4-10-11(15-8-13-2)6-5-7-12(10)16-9-14-3/h5-7H,4,8-9H2,1-3H3
InChIKeyYJPKNSYHBUXELM-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.21
Rot. Bonds7

About 2-ethyl-1,3-bis(methoxymethoxy)benzene

2-ethyl-1,3-bis(methoxymethoxy)benzene (PubChem CID 141101427) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-ethyl-1,3-bis(methoxymethoxy)benzene.

Molecular Properties

Compound Name2-ethyl-1,3-bis(methoxymethoxy)benzene
PubChem CID141101427
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-ethyl-1,3-bis(methoxymethoxy)benzene
SMILESCCc1c(OCOC)cccc1OCOC
InChIInChI=1S/C12H18O4/c1-4-10-11(15-8-13-2)6-5-7-12(10)16-9-14-3/h5-7H,4,8-9H2,1-3H3
InChIKeyYJPKNSYHBUXELM-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

1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
[2-methoxy-6-(methoxymethoxy)phenyl]methanamine
CID 71420177
1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
CID 54400320
2-ethyl-3-(methoxymethoxy)pyridine
CID 20598170
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
2-(2,2-dimethylpropyl)-1-(methoxymethoxy)-3-methylbenzene
CID 163974624
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
triethyl-[2-(methoxymethoxy)phenyl]silane
CID 69371927
tris[2-(methoxymethoxy)phenyl]bismuthane
CID 10579730

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-bis(methoxymethoxy)benzene?
The IUPAC name of 2-ethyl-1,3-bis(methoxymethoxy)benzene (CID 141101427) is 2-ethyl-1,3-bis(methoxymethoxy)benzene.
What is the SMILES notation for 2-ethyl-1,3-bis(methoxymethoxy)benzene?
The canonical SMILES for 2-ethyl-1,3-bis(methoxymethoxy)benzene is CCc1c(OCOC)cccc1OCOC.
What is the InChIKey of 2-ethyl-1,3-bis(methoxymethoxy)benzene?
The InChIKey is YJPKNSYHBUXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-10-11(15-8-13-2)6-5-7-12(10)16-9-14-3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-1,3-bis(methoxymethoxy)benzene?
2-ethyl-1,3-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 2-ethyl-1,3-bis(methoxymethoxy)benzene is sourced from PubChem (CID 141101427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).