5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole

C20H31NO5 — CID 130209837

IUPAC5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole
SMILESCOCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(C)=N2
InChIInChI=1S/C20H31NO5/c1-16-20(2,3)18-15-17(5-6-19(18)21-16)26-14-13-25-12-11-24-10-9-23-8-7-22-4/h5-6,15H,7-14H2,1-4H3
InChIKeyYCVYLTVBALHXEK-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.15
Rot. Bonds13

About 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole

5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole (PubChem CID 130209837) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole.

Molecular Properties

Compound Name5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole
PubChem CID130209837
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Name5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole
SMILESCOCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(C)=N2
InChIInChI=1S/C20H31NO5/c1-16-20(2,3)18-15-17(5-6-19(18)21-16)26-14-13-25-12-11-24-10-9-23-8-7-22-4/h5-6,15H,7-14H2,1-4H3
InChIKeyYCVYLTVBALHXEK-UHFFFAOYSA-N
XLogP3.15
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.15
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

6-(2,3,3-trimethylindol-5-yl)peroxyhexane-1-thiol
CID 88560917
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
ethane;2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142513343
4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
CID 104560013
4-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzonitrile
CID 104561582
2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid
CID 23357108
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole?
The IUPAC name of 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole (CID 130209837) is 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole.
What is the SMILES notation for 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole?
The canonical SMILES for 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole is COCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(C)=N2.
What is the InChIKey of 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole?
The InChIKey is YCVYLTVBALHXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-16-20(2,3)18-15-17(5-6-19(18)21-16)26-14-13-25-12-11-24-10-9-23-8-7-22-4/h5-6,15H,7-14H2,1-4H3.
What are the key properties of 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole?
5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole has a molecular weight of 365.47 g/mol, XLogP of 3.15, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,3,3-trimethylindole is sourced from PubChem (CID 130209837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).