(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane

C10H16O — CID 58281646

IUPAC(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane
SMILESC=C[C@]12CCCCCC[C@H]1O2
InChIInChI=1S/C10H16O/c1-2-10-8-6-4-3-5-7-9(10)11-10/h2,9H,1,3-8H2/t9-,10+/m1/s1
InChIKeyAGQUJAIBLXTHLZ-ZJUUUORDSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds1

About (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane

(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane (PubChem CID 58281646) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane.

Molecular Properties

Compound Name(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane
PubChem CID58281646
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane
SMILESC=C[C@]12CCCCCC[C@H]1O2
InChIInChI=1S/C10H16O/c1-2-10-8-6-4-3-5-7-9(10)11-10/h2,9H,1,3-8H2/t9-,10+/m1/s1
InChIKeyAGQUJAIBLXTHLZ-ZJUUUORDSA-N
XLogP2.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane?
The IUPAC name of (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane (CID 58281646) is (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane.
What is the SMILES notation for (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane?
The canonical SMILES for (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane is C=C[C@]12CCCCCC[C@H]1O2.
What is the InChIKey of (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane?
The InChIKey is AGQUJAIBLXTHLZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O/c1-2-10-8-6-4-3-5-7-9(10)11-10/h2,9H,1,3-8H2/t9-,10+/m1/s1.
What are the key properties of (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane?
(1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane has a molecular weight of 152.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1-ethenyl-9-oxabicyclo[6.1.0]nonane is sourced from PubChem (CID 58281646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).