2-(disulfanyl)undecanoic acid

C11H22O2S2 — CID 141134251

IUPAC2-(disulfanyl)undecanoic acid
SMILESCCCCCCCCCC(SS)C(=O)O
InChIInChI=1S/C11H22O2S2/c1-2-3-4-5-6-7-8-9-10(15-14)11(12)13/h10,14H,2-9H2,1H3,(H,12,13)
InChIKeyVHYSTVLCUBQYBF-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.16
Rot. Bonds10

About 2-(disulfanyl)undecanoic acid

2-(disulfanyl)undecanoic acid (PubChem CID 141134251) has the molecular formula C11H22O2S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(disulfanyl)undecanoic acid.

Molecular Properties

Compound Name2-(disulfanyl)undecanoic acid
PubChem CID141134251
Molecular FormulaC11H22O2S2
Molecular Weight250.43 g/mol
Exact Mass250.11
IUPAC Name2-(disulfanyl)undecanoic acid
SMILESCCCCCCCCCC(SS)C(=O)O
InChIInChI=1S/C11H22O2S2/c1-2-3-4-5-6-7-8-9-10(15-14)11(12)13/h10,14H,2-9H2,1H3,(H,12,13)
InChIKeyVHYSTVLCUBQYBF-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(decasulfanyl)decanoic acid
CID 162351605
2-acetylsulfanyloctanoic acid
CID 87865763
2-acetylsulfanylhexadecanoic acid
CID 118540049
2-dodecylsulfanylhexanoic acid
CID 89266983
2-hexadecylsulfanylhexanoic acid
CID 58722589
2-octylpropanedioic acid
CID 12972
2-nonacosylpropanedioic acid
CID 19851286
2-icosylpropanedioic acid
CID 11582738
2-sulfanylicosanoic acid
CID 18417186
2-(2-carboxyicosylsulfanylmethyl)icosanoic acid
CID 87970994
2-phenylsulfanyltetradecanoic acid
CID 15555175
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)undecanoic acid?
The IUPAC name of 2-(disulfanyl)undecanoic acid (CID 141134251) is 2-(disulfanyl)undecanoic acid.
What is the SMILES notation for 2-(disulfanyl)undecanoic acid?
The canonical SMILES for 2-(disulfanyl)undecanoic acid is CCCCCCCCCC(SS)C(=O)O.
What is the InChIKey of 2-(disulfanyl)undecanoic acid?
The InChIKey is VHYSTVLCUBQYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S2/c1-2-3-4-5-6-7-8-9-10(15-14)11(12)13/h10,14H,2-9H2,1H3,(H,12,13).
What are the key properties of 2-(disulfanyl)undecanoic acid?
2-(disulfanyl)undecanoic acid has a molecular weight of 250.43 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)undecanoic acid is sourced from PubChem (CID 141134251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).