hex-2-yn-1-ol;methanesulfonic acid

C7H14O4S — CID 71333230

IUPAChex-2-yn-1-ol;methanesulfonic acid
SMILESCCCC#CCO.CS(=O)(=O)O
InChIInChI=1S/C6H10O.CH4O3S/c1-2-3-4-5-6-7;1-5(2,3)4/h7H,2-3,6H2,1H3;1H3,(H,2,3,4)
InChIKeyIEPGSBDZPVAIAD-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.29
Rot. Bonds1

About hex-2-yn-1-ol;methanesulfonic acid

hex-2-yn-1-ol;methanesulfonic acid (PubChem CID 71333230) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is hex-2-yn-1-ol;methanesulfonic acid.

Molecular Properties

Compound Namehex-2-yn-1-ol;methanesulfonic acid
PubChem CID71333230
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Namehex-2-yn-1-ol;methanesulfonic acid
SMILESCCCC#CCO.CS(=O)(=O)O
InChIInChI=1S/C6H10O.CH4O3S/c1-2-3-4-5-6-7;1-5(2,3)4/h7H,2-3,6H2,1H3;1H3,(H,2,3,4)
InChIKeyIEPGSBDZPVAIAD-UHFFFAOYSA-N
XLogP0.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonic acid;oct-3-yn-1-ol
CID 71327437
methanesulfonic acid;4-methoxybut-2-yn-1-ol
CID 71346842
octadec-2-yn-1-ol
CID 2825194
hexadec-2-yn-1-ol
CID 11010038
2-(hydroxymethyl)-2-propylpropane-1,3-diol;methanesulfonic acid
CID 86744882
methanesulfonic acid;pent-3-yn-1-ol
CID 71334054
propan-1-ol;sulfuric acid
CID 18757021
5-butoxypent-2-yn-1-ol
CID 89211895
non-5-yn-2-one
CID 14901661
CID 6327904
CID 6327904
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815

Frequently Asked Questions

What is the IUPAC name of hex-2-yn-1-ol;methanesulfonic acid?
The IUPAC name of hex-2-yn-1-ol;methanesulfonic acid (CID 71333230) is hex-2-yn-1-ol;methanesulfonic acid.
What is the SMILES notation for hex-2-yn-1-ol;methanesulfonic acid?
The canonical SMILES for hex-2-yn-1-ol;methanesulfonic acid is CCCC#CCO.CS(=O)(=O)O.
What is the InChIKey of hex-2-yn-1-ol;methanesulfonic acid?
The InChIKey is IEPGSBDZPVAIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.CH4O3S/c1-2-3-4-5-6-7;1-5(2,3)4/h7H,2-3,6H2,1H3;1H3,(H,2,3,4).
What are the key properties of hex-2-yn-1-ol;methanesulfonic acid?
hex-2-yn-1-ol;methanesulfonic acid has a molecular weight of 194.25 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-yn-1-ol;methanesulfonic acid is sourced from PubChem (CID 71333230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).