5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol

C14H18O3Se — CID 12757738

IUPAC5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol
SMILESCC1(C)CC([Se](=O)(=O)c2ccccc2)=CC(O)C1
InChIInChI=1S/C14H18O3Se/c1-14(2)9-11(15)8-13(10-14)18(16,17)12-6-4-3-5-7-12/h3-8,11,15H,9-10H2,1-2H3
InChIKeyZHDBXAUTBYRINR-UHFFFAOYSA-N
MW313.25 g/mol
LogP1.84
Rot. Bonds2

About 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol

5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol (PubChem CID 12757738) has the molecular formula C14H18O3Se and a molecular weight of 313.25 g/mol. Its IUPAC name is 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol
PubChem CID12757738
Molecular FormulaC14H18O3Se
Molecular Weight313.25 g/mol
Exact Mass314.04
IUPAC Name5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol
SMILESCC1(C)CC([Se](=O)(=O)c2ccccc2)=CC(O)C1
InChIInChI=1S/C14H18O3Se/c1-14(2)9-11(15)8-13(10-14)18(16,17)12-6-4-3-5-7-12/h3-8,11,15H,9-10H2,1-2H3
InChIKeyZHDBXAUTBYRINR-UHFFFAOYSA-N
XLogP1.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol (CID 12757738) is 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol is CC1(C)CC([Se](=O)(=O)c2ccccc2)=CC(O)C1.
What is the InChIKey of 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol?
The InChIKey is ZHDBXAUTBYRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3Se/c1-14(2)9-11(15)8-13(10-14)18(16,17)12-6-4-3-5-7-12/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol?
5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol has a molecular weight of 313.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-phenylselenonylcyclohex-2-en-1-ol is sourced from PubChem (CID 12757738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).