1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene

C18H30O6 — CID 118036057

IUPAC1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
SMILESCCOCCOCCOc1cccc(OCCOCCOCC)c1
InChIInChI=1S/C18H30O6/c1-3-19-8-10-21-12-14-23-17-6-5-7-18(16-17)24-15-13-22-11-9-20-4-2/h5-7,16H,3-4,8-15H2,1-2H3
InChIKeyYBZTXMAWXSAJEN-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.55
Rot. Bonds16

About 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene

1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene (PubChem CID 118036057) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
PubChem CID118036057
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
SMILESCCOCCOCCOc1cccc(OCCOCCOCC)c1
InChIInChI=1S/C18H30O6/c1-3-19-8-10-21-12-14-23-17-6-5-7-18(16-17)24-15-13-22-11-9-20-4-2/h5-7,16H,3-4,8-15H2,1-2H3
InChIKeyYBZTXMAWXSAJEN-UHFFFAOYSA-N
XLogP2.55
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457228
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene?
The IUPAC name of 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene (CID 118036057) is 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene is CCOCCOCCOc1cccc(OCCOCCOCC)c1.
What is the InChIKey of 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene?
The InChIKey is YBZTXMAWXSAJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-3-19-8-10-21-12-14-23-17-6-5-7-18(16-17)24-15-13-22-11-9-20-4-2/h5-7,16H,3-4,8-15H2,1-2H3.
What are the key properties of 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene?
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene has a molecular weight of 342.43 g/mol, XLogP of 2.55, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 118036057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).