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

C26H46O8 — CID 118036044

IUPAC1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
SMILESCCCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCCC
InChIInChI=1S/C26H46O8/c1-3-5-11-27-13-15-29-17-19-31-21-23-33-25-9-7-8-10-26(25)34-24-22-32-20-18-30-16-14-28-12-6-4-2/h7-10H,3-6,11-24H2,1-2H3
InChIKeyCVUQIQSNWPAPLF-UHFFFAOYSA-N
MW486.65 g/mol
LogP4.14
Rot. Bonds26

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

1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 118036044) has the molecular formula C26H46O8 and a molecular weight of 486.65 g/mol. Its IUPAC name is 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID118036044
Molecular FormulaC26H46O8
Molecular Weight486.65 g/mol
Exact Mass486.32
IUPAC Name1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
SMILESCCCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCCC
InChIInChI=1S/C26H46O8/c1-3-5-11-27-13-15-29-17-19-31-21-23-33-25-9-7-8-10-26(25)34-24-22-32-20-18-30-16-14-28-12-6-4-2/h7-10H,3-6,11-24H2,1-2H3
InChIKeyCVUQIQSNWPAPLF-UHFFFAOYSA-N
XLogP4.14
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
[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-(2-butoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene (CID 118036044) is 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene is CCCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCCC.
What is the InChIKey of 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is CVUQIQSNWPAPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O8/c1-3-5-11-27-13-15-29-17-19-31-21-23-33-25-9-7-8-10-26(25)34-24-22-32-20-18-30-16-14-28-12-6-4-2/h7-10H,3-6,11-24H2,1-2H3.
What are the key properties of 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene?
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 486.65 g/mol, XLogP of 4.14, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 118036044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).