4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol

C13H16O3Se — CID 134891066

IUPAC4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol
SMILESCC1(C)CC(O)C=C1[Se](=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O3Se/c1-13(2)9-10(14)8-12(13)17(15,16)11-6-4-3-5-7-11/h3-8,10,14H,9H2,1-2H3
InChIKeyZMXLYKCSLIIMSG-UHFFFAOYSA-N
MW299.23 g/mol
LogP1.45
Rot. Bonds2

About 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol

4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol (PubChem CID 134891066) has the molecular formula C13H16O3Se and a molecular weight of 299.23 g/mol. Its IUPAC name is 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol
PubChem CID134891066
Molecular FormulaC13H16O3Se
Molecular Weight299.23 g/mol
Exact Mass300.03
IUPAC Name4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol
SMILESCC1(C)CC(O)C=C1[Se](=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O3Se/c1-13(2)9-10(14)8-12(13)17(15,16)11-6-4-3-5-7-11/h3-8,10,14H,9H2,1-2H3
InChIKeyZMXLYKCSLIIMSG-UHFFFAOYSA-N
XLogP1.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-1-phenylpent-1-en-3-ol
CID 13465033
(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
CID 16758963
(E)-1-phenylhex-1-en-3-ol
CID 12167973
2-Methyl-7-phenylhepta-1,4,6-trien-3-ol
CID 49859085
1-Hepten-3-ol, 1-phenyl-
CID 5371928
(E)-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 13110966
(E,2S,3S)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 59408282
(E,3S)-1-phenylhept-1-en-3-ol
CID 10943285
(1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol
CID 11009003
(Z)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11302916
(E)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11337394
(E,3S)-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 11367504

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol?
The IUPAC name of 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol (CID 134891066) is 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol?
The canonical SMILES for 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol is CC1(C)CC(O)C=C1[Se](=O)(=O)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol?
The InChIKey is ZMXLYKCSLIIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3Se/c1-13(2)9-10(14)8-12(13)17(15,16)11-6-4-3-5-7-11/h3-8,10,14H,9H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol?
4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol has a molecular weight of 299.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol is sourced from PubChem (CID 134891066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).