1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene

C22H38O6 — CID 12693817

IUPAC1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
SMILESCCCCOCCOCCOc1ccccc1OCCOCCOCCCC
InChIInChI=1S/C22H38O6/c1-3-5-11-23-13-15-25-17-19-27-21-9-7-8-10-22(21)28-20-18-26-16-14-24-12-6-4-2/h7-10H,3-6,11-20H2,1-2H3
InChIKeyQZOHGYDLDMRYAE-UHFFFAOYSA-N
MW398.54 g/mol
LogP4.11
Rot. Bonds20

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

1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene (PubChem CID 12693817) has the molecular formula C22H38O6 and a molecular weight of 398.54 g/mol. Its IUPAC name is 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
PubChem CID12693817
Molecular FormulaC22H38O6
Molecular Weight398.54 g/mol
Exact Mass398.27
IUPAC Name1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
SMILESCCCCOCCOCCOc1ccccc1OCCOCCOCCCC
InChIInChI=1S/C22H38O6/c1-3-5-11-23-13-15-25-17-19-27-21-9-7-8-10-22(21)28-20-18-26-16-14-24-12-6-4-2/h7-10H,3-6,11-20H2,1-2H3
InChIKeyQZOHGYDLDMRYAE-UHFFFAOYSA-N
XLogP4.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 54.11
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-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981
2-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289686
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
2-(2-butoxyethoxy)-6-chloroaniline
CID 104834987
1-[2-(2-hexoxyethoxy)ethoxy]-2-methylsulfanylbenzene
CID 58828233
2-pentoxyethoxybenzene
CID 54431229
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene?
The IUPAC name of 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene (CID 12693817) is 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene is CCCCOCCOCCOc1ccccc1OCCOCCOCCCC.
What is the InChIKey of 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene?
The InChIKey is QZOHGYDLDMRYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O6/c1-3-5-11-23-13-15-25-17-19-27-21-9-7-8-10-22(21)28-20-18-26-16-14-24-12-6-4-2/h7-10H,3-6,11-20H2,1-2H3.
What are the key properties of 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene?
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene has a molecular weight of 398.54 g/mol, XLogP of 4.11, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 12693817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).