cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol

C11H18O4S — CID 89006292

IUPACcyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol
SMILESO=S1(=O)OCCCC1C(O)C1CC=CCC1
InChIInChI=1S/C11H18O4S/c12-11(9-5-2-1-3-6-9)10-7-4-8-15-16(10,13)14/h1-2,9-12H,3-8H2
InChIKeyPOCPCRFCJLXXQF-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.21
Rot. Bonds2

About cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol

cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol (PubChem CID 89006292) has the molecular formula C11H18O4S and a molecular weight of 246.33 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol
PubChem CID89006292
Molecular FormulaC11H18O4S
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Namecyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol
SMILESO=S1(=O)OCCCC1C(O)C1CC=CCC1
InChIInChI=1S/C11H18O4S/c12-11(9-5-2-1-3-6-9)10-7-4-8-15-16(10,13)14/h1-2,9-12H,3-8H2
InChIKeyPOCPCRFCJLXXQF-UHFFFAOYSA-N
XLogP1.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol (CID 89006292) is cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol is O=S1(=O)OCCCC1C(O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol?
The InChIKey is POCPCRFCJLXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4S/c12-11(9-5-2-1-3-6-9)10-7-4-8-15-16(10,13)14/h1-2,9-12H,3-8H2.
What are the key properties of cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol?
cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol has a molecular weight of 246.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(2,2-dioxooxathian-3-yl)methanol is sourced from PubChem (CID 89006292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).