10,11-disulfinoundecanoic acid

C11H22O6S2 — CID 155275354

IUPAC10,11-disulfinoundecanoic acid
SMILESO=C(O)CCCCCCCCC(CS(=O)O)S(=O)O
InChIInChI=1S/C11H22O6S2/c12-11(13)8-6-4-2-1-3-5-7-10(19(16)17)9-18(14)15/h10H,1-9H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyZHNAJJUNDBUXQU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.00
Rot. Bonds12

About 10,11-disulfinoundecanoic acid

10,11-disulfinoundecanoic acid (PubChem CID 155275354) has the molecular formula C11H22O6S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 10,11-disulfinoundecanoic acid.

Molecular Properties

Compound Name10,11-disulfinoundecanoic acid
PubChem CID155275354
Molecular FormulaC11H22O6S2
Molecular Weight314.43 g/mol
Exact Mass314.09
IUPAC Name10,11-disulfinoundecanoic acid
SMILESO=C(O)CCCCCCCCC(CS(=O)O)S(=O)O
InChIInChI=1S/C11H22O6S2/c12-11(13)8-6-4-2-1-3-5-7-10(19(16)17)9-18(14)15/h10H,1-9H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyZHNAJJUNDBUXQU-UHFFFAOYSA-N
XLogP2.00
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19-methylheptatriacontanedioic acid
CID 141009772
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
7,8-dihydroxyhexadecanedioic acid
CID 14556981
6,12-diaminoheptadecanedioic acid
CID 23455605

Frequently Asked Questions

What is the IUPAC name of 10,11-disulfinoundecanoic acid?
The IUPAC name of 10,11-disulfinoundecanoic acid (CID 155275354) is 10,11-disulfinoundecanoic acid.
What is the SMILES notation for 10,11-disulfinoundecanoic acid?
The canonical SMILES for 10,11-disulfinoundecanoic acid is O=C(O)CCCCCCCCC(CS(=O)O)S(=O)O.
What is the InChIKey of 10,11-disulfinoundecanoic acid?
The InChIKey is ZHNAJJUNDBUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6S2/c12-11(13)8-6-4-2-1-3-5-7-10(19(16)17)9-18(14)15/h10H,1-9H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 10,11-disulfinoundecanoic acid?
10,11-disulfinoundecanoic acid has a molecular weight of 314.43 g/mol, XLogP of 2.00, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-disulfinoundecanoic acid is sourced from PubChem (CID 155275354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).