2-hydroxydodecane-1-sulfonic acid

C12H26O4S — CID 3015057

IUPAC2-hydroxydodecane-1-sulfonic acid
SMILESCCCCCCCCCCC(O)CS(=O)(=O)O
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-12(13)11-17(14,15)16/h12-13H,2-11H2,1H3,(H,14,15,16)
InChIKeyVRWFADPPHBJBER-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.77
Rot. Bonds11

About 2-hydroxydodecane-1-sulfonic acid

2-hydroxydodecane-1-sulfonic acid (PubChem CID 3015057) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-hydroxydodecane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxydodecane-1-sulfonic acid
PubChem CID3015057
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Name2-hydroxydodecane-1-sulfonic acid
SMILESCCCCCCCCCCC(O)CS(=O)(=O)O
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-12(13)11-17(14,15)16/h12-13H,2-11H2,1H3,(H,14,15,16)
InChIKeyVRWFADPPHBJBER-UHFFFAOYSA-N
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxydodecane-1-sulfonic acid?
The IUPAC name of 2-hydroxydodecane-1-sulfonic acid (CID 3015057) is 2-hydroxydodecane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxydodecane-1-sulfonic acid?
The canonical SMILES for 2-hydroxydodecane-1-sulfonic acid is CCCCCCCCCCC(O)CS(=O)(=O)O.
What is the InChIKey of 2-hydroxydodecane-1-sulfonic acid?
The InChIKey is VRWFADPPHBJBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-12(13)11-17(14,15)16/h12-13H,2-11H2,1H3,(H,14,15,16).
What are the key properties of 2-hydroxydodecane-1-sulfonic acid?
2-hydroxydodecane-1-sulfonic acid has a molecular weight of 266.40 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydodecane-1-sulfonic acid is sourced from PubChem (CID 3015057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).