methanesulfonic acid;4-methoxybutan-1-ol

C6H16O5S — CID 71419271

IUPACmethanesulfonic acid;4-methoxybutan-1-ol
SMILESCOCCCCO.CS(=O)(=O)O
InChIInChI=1S/C5H12O2.CH4O3S/c1-7-5-3-2-4-6;1-5(2,3)4/h6H,2-5H2,1H3;1H3,(H,2,3,4)
InChIKeyQSNCDASSYURBHM-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.09
Rot. Bonds4

About methanesulfonic acid;4-methoxybutan-1-ol

methanesulfonic acid;4-methoxybutan-1-ol (PubChem CID 71419271) has the molecular formula C6H16O5S and a molecular weight of 200.26 g/mol. Its IUPAC name is methanesulfonic acid;4-methoxybutan-1-ol.

Molecular Properties

Compound Namemethanesulfonic acid;4-methoxybutan-1-ol
PubChem CID71419271
Molecular FormulaC6H16O5S
Molecular Weight200.26 g/mol
Exact Mass200.07
IUPAC Namemethanesulfonic acid;4-methoxybutan-1-ol
SMILESCOCCCCO.CS(=O)(=O)O
InChIInChI=1S/C5H12O2.CH4O3S/c1-7-5-3-2-4-6;1-5(2,3)4/h6H,2-5H2,1H3;1H3,(H,2,3,4)
InChIKeyQSNCDASSYURBHM-UHFFFAOYSA-N
XLogP-0.09
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

butane-1,4-diol;methyl methanesulfonate
CID 175275162
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
5-hydroxypentyl methanesulfonate
CID 19894604
acetic acid;3-methoxypropan-1-ol
CID 71363248
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate
CID 170088315
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
16-hydroxyhexadecyl hydrogen sulfate
CID 57207940

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;4-methoxybutan-1-ol?
The IUPAC name of methanesulfonic acid;4-methoxybutan-1-ol (CID 71419271) is methanesulfonic acid;4-methoxybutan-1-ol.
What is the SMILES notation for methanesulfonic acid;4-methoxybutan-1-ol?
The canonical SMILES for methanesulfonic acid;4-methoxybutan-1-ol is COCCCCO.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;4-methoxybutan-1-ol?
The InChIKey is QSNCDASSYURBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.CH4O3S/c1-7-5-3-2-4-6;1-5(2,3)4/h6H,2-5H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;4-methoxybutan-1-ol?
methanesulfonic acid;4-methoxybutan-1-ol has a molecular weight of 200.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;4-methoxybutan-1-ol is sourced from PubChem (CID 71419271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).