1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane

C24H50O8S — CID 169283665

IUPAC1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCSCCCC(C)(C)C
InChIInChI=1S/C24H50O8S/c1-24(2,3)6-5-22-33-23-21-32-20-19-31-18-17-30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-4/h5-23H2,1-4H3
InChIKeyKYRDIYYOQDICQU-UHFFFAOYSA-N
MW498.72 g/mol
LogP3.31
Rot. Bonds27

About 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane

1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane (PubChem CID 169283665) has the molecular formula C24H50O8S and a molecular weight of 498.72 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
PubChem CID169283665
Molecular FormulaC24H50O8S
Molecular Weight498.72 g/mol
Exact Mass498.32
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCSCCCC(C)(C)C
InChIInChI=1S/C24H50O8S/c1-24(2,3)6-5-22-33-23-21-32-20-19-31-18-17-30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-4/h5-23H2,1-4H3
InChIKeyKYRDIYYOQDICQU-UHFFFAOYSA-N
XLogP3.31
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.72
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
CID 58816829
3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-[3-[2-(2-methoxyethoxy)ethylsulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane
CID 169283673
2-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropane
CID 134353103
4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene
CID 152523585
1-[8-(7,7-dimethyloctylsulfanyl)octylsulfanyl]-7,7-dimethyloctane
CID 170655572
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
CID 23516617
1-(2-tert-butylsulfanylethoxy)-4,4-dimethylpentane
CID 155109854
3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
2-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropanoic acid
CID 81229569

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane (CID 169283665) is 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane is COCCOCCOCCOCCOCCOCCOCCOCCSCCCC(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane?
The InChIKey is KYRDIYYOQDICQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O8S/c1-24(2,3)6-5-22-33-23-21-32-20-19-31-18-17-30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-4/h5-23H2,1-4H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane?
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane has a molecular weight of 498.72 g/mol, XLogP of 3.31, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane is sourced from PubChem (CID 169283665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).