2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate

C14H26O5S2 — CID 87208223

IUPAC2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
SMILESCC(S)CCC(=O)OCCOCCOC(=O)CCC(C)S
InChIInChI=1S/C14H26O5S2/c1-11(20)3-5-13(15)18-9-7-17-8-10-19-14(16)6-4-12(2)21/h11-12,20-21H,3-10H2,1-2H3
InChIKeyDFBWSGKQKVHHBF-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.29
Rot. Bonds12

About 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate

2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate (PubChem CID 87208223) has the molecular formula C14H26O5S2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate.

Molecular Properties

Compound Name2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
PubChem CID87208223
Molecular FormulaC14H26O5S2
Molecular Weight338.49 g/mol
Exact Mass338.12
IUPAC Name2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
SMILESCC(S)CCC(=O)OCCOCCOC(=O)CCC(C)S
InChIInChI=1S/C14H26O5S2/c1-11(20)3-5-13(15)18-9-7-17-8-10-19-14(16)6-4-12(2)21/h11-12,20-21H,3-10H2,1-2H3
InChIKeyDFBWSGKQKVHHBF-UHFFFAOYSA-N
XLogP2.29
TPSA61.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
[3-(4-sulfanylpentanoyloxy)-2-[[3-(4-sulfanylpentanoyloxy)-2,2-bis(4-sulfanylpentanoyloxymethyl)propoxy]methyl]-2-(4-sulfanylpentanoyloxymethyl)propyl] 4-sulfanylpentanoate
CID 87208232
2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141228778
2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141056021
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
CID 122472522
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-7-sulfanyloctan-4-one
CID 159232604
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
[1-(4-sulfanylpentanoyloxymethyl)cyclohexyl]methyl 4-sulfanylpentanoate
CID 87479731
2-[2-(4-sulfanylbutanoyloxy)ethoxy]ethyl 4-sulfanylbutanoate
CID 87477903
2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
CID 112588145
3-hydroxypropyl 4-methylpentanoate
CID 87401837

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate?
The IUPAC name of 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate (CID 87208223) is 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate.
What is the SMILES notation for 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate?
The canonical SMILES for 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate is CC(S)CCC(=O)OCCOCCOC(=O)CCC(C)S.
What is the InChIKey of 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate?
The InChIKey is DFBWSGKQKVHHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5S2/c1-11(20)3-5-13(15)18-9-7-17-8-10-19-14(16)6-4-12(2)21/h11-12,20-21H,3-10H2,1-2H3.
What are the key properties of 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate?
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate has a molecular weight of 338.49 g/mol, XLogP of 2.29, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate is sourced from PubChem (CID 87208223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).