[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate

C15H18O3 — CID 11334083

IUPAC[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate
SMILESC=CCO[C@@H]1CCC[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C15H18O3/c1-2-11-17-13-9-6-10-14(13)18-15(16)12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-,14-/m1/s1
InChIKeyFETIGQFRUXJRNH-ZIAGYGMSSA-N
MW246.31 g/mol
LogP2.97
Rot. Bonds5

About [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate

[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate (PubChem CID 11334083) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate.

Molecular Properties

Compound Name[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate
PubChem CID11334083
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate
SMILESC=CCO[C@@H]1CCC[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C15H18O3/c1-2-11-17-13-9-6-10-14(13)18-15(16)12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-,14-/m1/s1
InChIKeyFETIGQFRUXJRNH-ZIAGYGMSSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
[(1S,2S)-2-bromocyclooctyl] benzoate
CID 135055560
[(3S,4S,5R,6S)-5-acetyloxy-4-hydroxy-6-prop-2-enoxyoxan-3-yl] benzoate
CID 10893046
formic acid;prop-2-enyl benzoate
CID 174813743
[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene
CID 11264404
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] benzoate
CID 44722542
acetyl acetate;[(1R,2R)-2-prop-2-enoxycyclopentyl] acetate;trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 161310879
[(2S,3S,4S,5S)-5-amino-4-hydroxy-2-prop-2-enoxyoxan-3-yl] benzoate
CID 139409454
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
8-tricyclo[5.2.1.02,6]decanyl benzoate
CID 4024084
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
[(1S,5R,6S)-8-azabicyclo[3.2.1]octan-6-yl] benzoate
CID 10728231

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate?
The IUPAC name of [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate (CID 11334083) is [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate.
What is the SMILES notation for [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate?
The canonical SMILES for [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate is C=CCO[C@@H]1CCC[C@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate?
The InChIKey is FETIGQFRUXJRNH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-11-17-13-9-6-10-14(13)18-15(16)12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate?
[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate has a molecular weight of 246.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate is sourced from PubChem (CID 11334083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).