(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one

C13H20O — CID 11321466

IUPAC(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one
SMILESC=CCCCC[C@@]12CCC[C@@H]1CC2=O
InChIInChI=1S/C13H20O/c1-2-3-4-5-8-13-9-6-7-11(13)10-12(13)14/h2,11H,1,3-10H2/t11-,13-/m1/s1
InChIKeyAEBXBSYMNUSIKZ-DGCLKSJQSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds5

About (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one

(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one (PubChem CID 11321466) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one
PubChem CID11321466
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one
SMILESC=CCCCC[C@@]12CCC[C@@H]1CC2=O
InChIInChI=1S/C13H20O/c1-2-3-4-5-8-13-9-6-7-11(13)10-12(13)14/h2,11H,1,3-10H2/t11-,13-/m1/s1
InChIKeyAEBXBSYMNUSIKZ-DGCLKSJQSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one (CID 11321466) is (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one is C=CCCCC[C@@]12CCC[C@@H]1CC2=O.
What is the InChIKey of (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one?
The InChIKey is AEBXBSYMNUSIKZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H20O/c1-2-3-4-5-8-13-9-6-7-11(13)10-12(13)14/h2,11H,1,3-10H2/t11-,13-/m1/s1.
What are the key properties of (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one?
(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one has a molecular weight of 192.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 11321466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).