cyclohexylmethanol;sulfuric acid

C14H30O6S — CID 71362926

IUPACcyclohexylmethanol;sulfuric acid
SMILESO=S(=O)(O)O.OCC1CCCCC1.OCC1CCCCC1
InChIInChI=1S/2C7H14O.H2O4S/c2*8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2*7-8H,1-6H2;(H2,1,2,3,4)
InChIKeyDNJORSZQDNDXFO-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.47
Rot. Bonds2

About cyclohexylmethanol;sulfuric acid

cyclohexylmethanol;sulfuric acid (PubChem CID 71362926) has the molecular formula C14H30O6S and a molecular weight of 326.46 g/mol. Its IUPAC name is cyclohexylmethanol;sulfuric acid.

Molecular Properties

Compound Namecyclohexylmethanol;sulfuric acid
PubChem CID71362926
Molecular FormulaC14H30O6S
Molecular Weight326.46 g/mol
Exact Mass326.18
IUPAC Namecyclohexylmethanol;sulfuric acid
SMILESO=S(=O)(O)O.OCC1CCCCC1.OCC1CCCCC1
InChIInChI=1S/2C7H14O.H2O4S/c2*8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2*7-8H,1-6H2;(H2,1,2,3,4)
InChIKeyDNJORSZQDNDXFO-UHFFFAOYSA-N
XLogP2.47
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol;sulfuric acid?
The IUPAC name of cyclohexylmethanol;sulfuric acid (CID 71362926) is cyclohexylmethanol;sulfuric acid.
What is the SMILES notation for cyclohexylmethanol;sulfuric acid?
The canonical SMILES for cyclohexylmethanol;sulfuric acid is O=S(=O)(O)O.OCC1CCCCC1.OCC1CCCCC1.
What is the InChIKey of cyclohexylmethanol;sulfuric acid?
The InChIKey is DNJORSZQDNDXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O.H2O4S/c2*8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2*7-8H,1-6H2;(H2,1,2,3,4).
What are the key properties of cyclohexylmethanol;sulfuric acid?
cyclohexylmethanol;sulfuric acid has a molecular weight of 326.46 g/mol, XLogP of 2.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;sulfuric acid is sourced from PubChem (CID 71362926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).