cyclobutylmethanol;methanesulfonic acid

C6H14O4S — CID 71380993

IUPACcyclobutylmethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC1CCC1
InChIInChI=1S/C5H10O.CH4O3S/c6-4-5-2-1-3-5;1-5(2,3)4/h5-6H,1-4H2;1H3,(H,2,3,4)
InChIKeySZPMELKYSCOOGZ-UHFFFAOYSA-N
MW182.24 g/mol
LogP0.28
Rot. Bonds1

About cyclobutylmethanol;methanesulfonic acid

cyclobutylmethanol;methanesulfonic acid (PubChem CID 71380993) has the molecular formula C6H14O4S and a molecular weight of 182.24 g/mol. Its IUPAC name is cyclobutylmethanol;methanesulfonic acid.

Molecular Properties

Compound Namecyclobutylmethanol;methanesulfonic acid
PubChem CID71380993
Molecular FormulaC6H14O4S
Molecular Weight182.24 g/mol
Exact Mass182.06
IUPAC Namecyclobutylmethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC1CCC1
InChIInChI=1S/C5H10O.CH4O3S/c6-4-5-2-1-3-5;1-5(2,3)4/h5-6H,1-4H2;1H3,(H,2,3,4)
InChIKeySZPMELKYSCOOGZ-UHFFFAOYSA-N
XLogP0.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylmethanol;sulfuric acid
CID 71362926
cyclobutylmethanol;ethanol
CID 68532840
N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 130538237
cyclotetradecylmethanol
CID 23468347
cyclopentylmethanol;cyclopentylmethylhydrazine;cyclopentylmethyl methanesulfonate
CID 158328738
cyclopropanamine;methanesulfonic acid
CID 87564973
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
CID 91067725
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
[4-(cyclobutylmethoxy)cyclohexyl]methanol
CID 106825263
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethanol;methanesulfonic acid?
The IUPAC name of cyclobutylmethanol;methanesulfonic acid (CID 71380993) is cyclobutylmethanol;methanesulfonic acid.
What is the SMILES notation for cyclobutylmethanol;methanesulfonic acid?
The canonical SMILES for cyclobutylmethanol;methanesulfonic acid is CS(=O)(=O)O.OCC1CCC1.
What is the InChIKey of cyclobutylmethanol;methanesulfonic acid?
The InChIKey is SZPMELKYSCOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CH4O3S/c6-4-5-2-1-3-5;1-5(2,3)4/h5-6H,1-4H2;1H3,(H,2,3,4).
What are the key properties of cyclobutylmethanol;methanesulfonic acid?
cyclobutylmethanol;methanesulfonic acid has a molecular weight of 182.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethanol;methanesulfonic acid is sourced from PubChem (CID 71380993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).