5-(4-carboxybutyldisulfanyl)pentanoic acid

C10H18O4S2 — CID 21330220

IUPAC5-(4-carboxybutyldisulfanyl)pentanoic acid
SMILESO=C(O)CCCCSSCCCCC(=O)O
InChIInChI=1S/C10H18O4S2/c11-9(12)5-1-3-7-15-16-8-4-2-6-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKeyBUNIEQRWYCLSSX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.88
Rot. Bonds11

About 5-(4-carboxybutyldisulfanyl)pentanoic acid

5-(4-carboxybutyldisulfanyl)pentanoic acid (PubChem CID 21330220) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-(4-carboxybutyldisulfanyl)pentanoic acid.

Molecular Properties

Compound Name5-(4-carboxybutyldisulfanyl)pentanoic acid
PubChem CID21330220
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Name5-(4-carboxybutyldisulfanyl)pentanoic acid
SMILESO=C(O)CCCCSSCCCCC(=O)O
InChIInChI=1S/C10H18O4S2/c11-9(12)5-1-3-7-15-16-8-4-2-6-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKeyBUNIEQRWYCLSSX-UHFFFAOYSA-N
XLogP2.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(butyldisulfanyl)pentanoic acid
CID 10331157
6-(5-carboxypentylsulfanyl)hexanoic acid
CID 11108146
10-(9-carboxynonylsulfanyl)decanoic acid
CID 22572392
12-(acetyldisulfanyl)dodecanoic acid
CID 102500043
6-(tert-butyldisulfanyl)hexanoic acid
CID 10263528
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449

Frequently Asked Questions

What is the IUPAC name of 5-(4-carboxybutyldisulfanyl)pentanoic acid?
The IUPAC name of 5-(4-carboxybutyldisulfanyl)pentanoic acid (CID 21330220) is 5-(4-carboxybutyldisulfanyl)pentanoic acid.
What is the SMILES notation for 5-(4-carboxybutyldisulfanyl)pentanoic acid?
The canonical SMILES for 5-(4-carboxybutyldisulfanyl)pentanoic acid is O=C(O)CCCCSSCCCCC(=O)O.
What is the InChIKey of 5-(4-carboxybutyldisulfanyl)pentanoic acid?
The InChIKey is BUNIEQRWYCLSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S2/c11-9(12)5-1-3-7-15-16-8-4-2-6-10(13)14/h1-8H2,(H,11,12)(H,13,14).
What are the key properties of 5-(4-carboxybutyldisulfanyl)pentanoic acid?
5-(4-carboxybutyldisulfanyl)pentanoic acid has a molecular weight of 266.38 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carboxybutyldisulfanyl)pentanoic acid is sourced from PubChem (CID 21330220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).