2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate

C14H26O6S2 — CID 172537073

IUPAC2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
SMILESCSCCC(=O)OCCOCCOCCOC(=O)CCSC
InChIInChI=1S/C14H26O6S2/c1-21-11-3-13(15)19-9-7-17-5-6-18-8-10-20-14(16)4-12-22-2/h3-12H2,1-2H3
InChIKeyIETFURAXDWXKNN-UHFFFAOYSA-N
MW354.49 g/mol
LogP1.61
Rot. Bonds15

About 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate

2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate (PubChem CID 172537073) has the molecular formula C14H26O6S2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate.

Molecular Properties

Compound Name2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
PubChem CID172537073
Molecular FormulaC14H26O6S2
Molecular Weight354.49 g/mol
Exact Mass354.12
IUPAC Name2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
SMILESCSCCC(=O)OCCOCCOCCOC(=O)CCSC
InChIInChI=1S/C14H26O6S2/c1-21-11-3-13(15)19-9-7-17-5-6-18-8-10-20-14(16)4-12-22-2/h3-12H2,1-2H3
InChIKeyIETFURAXDWXKNN-UHFFFAOYSA-N
XLogP1.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 51.61
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

octadecyl 3-methylsulfanylpropanoate
CID 22981932
octyl 3-methylsulfanylpropanoate
CID 22981933
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate
CID 164738857
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
[4-(2-methylsulfanylethoxy)-4-oxobutyl]azanium
CID 163379898
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate
CID 20673875
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-methylsulfanylethyl 2-hydroxyacetate
CID 127010328

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate?
The IUPAC name of 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate (CID 172537073) is 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate.
What is the SMILES notation for 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate?
The canonical SMILES for 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate is CSCCC(=O)OCCOCCOCCOC(=O)CCSC.
What is the InChIKey of 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate?
The InChIKey is IETFURAXDWXKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6S2/c1-21-11-3-13(15)19-9-7-17-5-6-18-8-10-20-14(16)4-12-22-2/h3-12H2,1-2H3.
What are the key properties of 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate?
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate has a molecular weight of 354.49 g/mol, XLogP of 1.61, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate is sourced from PubChem (CID 172537073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).