1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene

C17H28O4 — CID 104567723

IUPAC1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCOCCOCCOCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28O4/c1-17(2,3)15-7-5-6-8-16(15)21-14-13-20-12-11-19-10-9-18-4/h5-8H,9-14H2,1-4H3
InChIKeyUTZHXAXQTUQTKB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds10

About 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene

1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 104567723) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID104567723
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCOCCOCCOCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28O4/c1-17(2,3)15-7-5-6-8-16(15)21-14-13-20-12-11-19-10-9-18-4/h5-8H,9-14H2,1-4H3
InChIKeyUTZHXAXQTUQTKB-UHFFFAOYSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
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

2-[2-(2-tert-butylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280492
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene
CID 63458032
N-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2280746
tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]sulfanium tetrafluoroborate
CID 139829823
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
CID 113438517
1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
CID 104658806
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (CID 104567723) is 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is COCCOCCOCCOc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is UTZHXAXQTUQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-17(2,3)15-7-5-6-8-16(15)21-14-13-20-12-11-19-10-9-18-4/h5-8H,9-14H2,1-4H3.
What are the key properties of 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 296.41 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 104567723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).