1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene

C17H28O4 — CID 104567700

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
SMILESCCCCOCCOCCOCCOc1ccc(C)cc1
InChIInChI=1S/C17H28O4/c1-3-4-9-18-10-11-19-12-13-20-14-15-21-17-7-5-16(2)6-8-17/h5-8H,3-4,9-15H2,1-2H3
InChIKeySKXOEKFGMMMTDA-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.22
Rot. Bonds13

About 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene

1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene (PubChem CID 104567700) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
PubChem CID104567700
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
SMILESCCCCOCCOCCOCCOc1ccc(C)cc1
InChIInChI=1S/C17H28O4/c1-3-4-9-18-10-11-19-12-13-20-14-15-21-17-7-5-16(2)6-8-17/h5-8H,3-4,9-15H2,1-2H3
InChIKeySKXOEKFGMMMTDA-UHFFFAOYSA-N
XLogP3.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
4-(2-pentoxyethoxy)aniline
CID 43274923
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene (CID 104567700) is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene is CCCCOCCOCCOCCOc1ccc(C)cc1.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene?
The InChIKey is SKXOEKFGMMMTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-3-4-9-18-10-11-19-12-13-20-14-15-21-17-7-5-16(2)6-8-17/h5-8H,3-4,9-15H2,1-2H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene?
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene has a molecular weight of 296.41 g/mol, XLogP of 3.22, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene is sourced from PubChem (CID 104567700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).