(2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one

C13H22O2 — CID 71355549

IUPAC(2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one
SMILESCCCCCC=CC[C@]1(O)CCCC1=O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12(13)14/h6-7,15H,2-5,8-11H2,1H3/t13-/m0/s1
InChIKeySSWUJYNEUBBCRM-ZDUSSCGKSA-N
MW210.32 g/mol
LogP3.00
Rot. Bonds6

About (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one

(2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one (PubChem CID 71355549) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one
PubChem CID71355549
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one
SMILESCCCCCC=CC[C@]1(O)CCCC1=O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12(13)14/h6-7,15H,2-5,8-11H2,1H3/t13-/m0/s1
InChIKeySSWUJYNEUBBCRM-ZDUSSCGKSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
non-3-enoyl chloride
CID 71403525
1-[(E)-dodec-1-enyl]cyclohexan-1-ol
CID 14571858
1-hydroxy-1-octadec-9-enylpyrrolidin-1-ium-2,5-dione
CID 123842311
1-tetradec-2-enylcyclohexane-1,2-dicarboxylic acid
CID 54086177
(E)-nonacos-10-ene
CID 14367300
(6E,10Z,14E)-icosa-6,10,14-triene
CID 53230462
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one (CID 71355549) is (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one is CCCCCC=CC[C@]1(O)CCCC1=O.
What is the InChIKey of (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one?
The InChIKey is SSWUJYNEUBBCRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12(13)14/h6-7,15H,2-5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one?
(2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one is sourced from PubChem (CID 71355549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).