(2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one

C13H18O2 — CID 102457565

IUPAC(2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](/C=C/C2CCCCC2)O1
InChIInChI=1S/C13H18O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h4,8-12H,1-3,5-7H2/b10-9+/t12-/m1/s1
InChIKeyLRLSZIADZABCOB-BZYZDCJZSA-N
MW206.29 g/mol
LogP2.99
Rot. Bonds2

About (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one

(2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one (PubChem CID 102457565) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one
PubChem CID102457565
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](/C=C/C2CCCCC2)O1
InChIInChI=1S/C13H18O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h4,8-12H,1-3,5-7H2/b10-9+/t12-/m1/s1
InChIKeyLRLSZIADZABCOB-BZYZDCJZSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one (CID 102457565) is (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one is O=C1C=CC[C@H](/C=C/C2CCCCC2)O1.
What is the InChIKey of (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one?
The InChIKey is LRLSZIADZABCOB-BZYZDCJZSA-N. The full InChI is InChI=1S/C13H18O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h4,8-12H,1-3,5-7H2/b10-9+/t12-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one?
(2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-cyclohexylethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 102457565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).