3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene

C18H32O7S — CID 101062326

IUPAC3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene
SMILESCOCCOCCOCCOCCOCCOCCOc1cscc1C
InChIInChI=1S/C18H32O7S/c1-17-15-26-16-18(17)25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-19-2/h15-16H,3-14H2,1-2H3
InChIKeyRBHHFVYMUAJTKR-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.16
Rot. Bonds19

About 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene

3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene (PubChem CID 101062326) has the molecular formula C18H32O7S and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene
PubChem CID101062326
Molecular FormulaC18H32O7S
Molecular Weight392.51 g/mol
Exact Mass392.19
IUPAC Name3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene
SMILESCOCCOCCOCCOCCOCCOCCOc1cscc1C
InChIInChI=1S/C18H32O7S/c1-17-15-26-16-18(17)25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-19-2/h15-16H,3-14H2,1-2H3
InChIKeyRBHHFVYMUAJTKR-UHFFFAOYSA-N
XLogP2.16
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.16
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

3-(2-bromoethoxy)-4-methylthiophene
CID 22016338
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine
CID 25136770
2-(4-methylthiophen-3-yl)oxyethanesulfonic acid
CID 10977033
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
cyclopenta-2,4-dien-1-yl-dimethyl-[2-(4-methylthiophen-3-yl)oxyethyl]azanium
CID 102353305
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene?
The IUPAC name of 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene (CID 101062326) is 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene?
The canonical SMILES for 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene is COCCOCCOCCOCCOCCOCCOc1cscc1C.
What is the InChIKey of 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene?
The InChIKey is RBHHFVYMUAJTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O7S/c1-17-15-26-16-18(17)25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-19-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene?
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene has a molecular weight of 392.51 g/mol, XLogP of 2.16, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene is sourced from PubChem (CID 101062326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).