cyclohexylcyclohexane;sulfuric acid

C12H24O4S — CID 67093853

IUPACcyclohexylcyclohexane;sulfuric acid
SMILESC1CCC(C2CCCCC2)CC1.O=S(=O)(O)O
InChIInChI=1S/C12H22.H2O4S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5(2,3)4/h11-12H,1-10H2;(H2,1,2,3,4)
InChIKeyYYYROWFAJWARSD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.49
Rot. Bonds1

About cyclohexylcyclohexane;sulfuric acid

cyclohexylcyclohexane;sulfuric acid (PubChem CID 67093853) has the molecular formula C12H24O4S and a molecular weight of 264.39 g/mol. Its IUPAC name is cyclohexylcyclohexane;sulfuric acid.

Molecular Properties

Compound Namecyclohexylcyclohexane;sulfuric acid
PubChem CID67093853
Molecular FormulaC12H24O4S
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Namecyclohexylcyclohexane;sulfuric acid
SMILESC1CCC(C2CCCCC2)CC1.O=S(=O)(O)O
InChIInChI=1S/C12H22.H2O4S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5(2,3)4/h11-12H,1-10H2;(H2,1,2,3,4)
InChIKeyYYYROWFAJWARSD-UHFFFAOYSA-N
XLogP3.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 cyclohexylcyclohexane;sulfuric acid?
The IUPAC name of cyclohexylcyclohexane;sulfuric acid (CID 67093853) is cyclohexylcyclohexane;sulfuric acid.
What is the SMILES notation for cyclohexylcyclohexane;sulfuric acid?
The canonical SMILES for cyclohexylcyclohexane;sulfuric acid is C1CCC(C2CCCCC2)CC1.O=S(=O)(O)O.
What is the InChIKey of cyclohexylcyclohexane;sulfuric acid?
The InChIKey is YYYROWFAJWARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.H2O4S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5(2,3)4/h11-12H,1-10H2;(H2,1,2,3,4).
What are the key properties of cyclohexylcyclohexane;sulfuric acid?
cyclohexylcyclohexane;sulfuric acid has a molecular weight of 264.39 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;sulfuric acid is sourced from PubChem (CID 67093853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).