3-cyclohexylpropan-1-ol;methanesulfonic acid

C10H22O4S — CID 71346347

IUPAC3-cyclohexylpropan-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCCCC1CCCCC1
InChIInChI=1S/C9H18O.CH4O3S/c10-8-4-7-9-5-2-1-3-6-9;1-5(2,3)4/h9-10H,1-8H2;1H3,(H,2,3,4)
InChIKeyQSBGMWAKJVUBEI-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.84
Rot. Bonds3

About 3-cyclohexylpropan-1-ol;methanesulfonic acid

3-cyclohexylpropan-1-ol;methanesulfonic acid (PubChem CID 71346347) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-cyclohexylpropan-1-ol;methanesulfonic acid.

Molecular Properties

Compound Name3-cyclohexylpropan-1-ol;methanesulfonic acid
PubChem CID71346347
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name3-cyclohexylpropan-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCCCC1CCCCC1
InChIInChI=1S/C9H18O.CH4O3S/c10-8-4-7-9-5-2-1-3-6-9;1-5(2,3)4/h9-10H,1-8H2;1H3,(H,2,3,4)
InChIKeyQSBGMWAKJVUBEI-UHFFFAOYSA-N
XLogP1.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropan-1-ol;methanesulfonic acid?
The IUPAC name of 3-cyclohexylpropan-1-ol;methanesulfonic acid (CID 71346347) is 3-cyclohexylpropan-1-ol;methanesulfonic acid.
What is the SMILES notation for 3-cyclohexylpropan-1-ol;methanesulfonic acid?
The canonical SMILES for 3-cyclohexylpropan-1-ol;methanesulfonic acid is CS(=O)(=O)O.OCCCC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropan-1-ol;methanesulfonic acid?
The InChIKey is QSBGMWAKJVUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.CH4O3S/c10-8-4-7-9-5-2-1-3-6-9;1-5(2,3)4/h9-10H,1-8H2;1H3,(H,2,3,4).
What are the key properties of 3-cyclohexylpropan-1-ol;methanesulfonic acid?
3-cyclohexylpropan-1-ol;methanesulfonic acid has a molecular weight of 238.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropan-1-ol;methanesulfonic acid is sourced from PubChem (CID 71346347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).