(4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one

C15H20O2 — CID 6326322

IUPAC(4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
SMILESC/C1=C\CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O
InChIInChI=1S/C15H20O2/c1-11-5-3-7-12(2)9-14-10-13(8-4-6-11)15(16)17-14/h6-7,10,14H,3-5,8-9H2,1-2H3/b11-6+,12-7+/t14-/m1/s1
InChIKeyJOQILOMKLDOWGX-NLHFMICRSA-N
MW232.32 g/mol
LogP3.69
Rot. Bonds

About (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one

(4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one (PubChem CID 6326322) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one.

Molecular Properties

Compound Name(4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
PubChem CID6326322
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
SMILESC/C1=C\CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O
InChIInChI=1S/C15H20O2/c1-11-5-3-7-12(2)9-14-10-13(8-4-6-11)15(16)17-14/h6-7,10,14H,3-5,8-9H2,1-2H3/b11-6+,12-7+/t14-/m1/s1
InChIKeyJOQILOMKLDOWGX-NLHFMICRSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one?
The IUPAC name of (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one (CID 6326322) is (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one.
What is the SMILES notation for (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one?
The canonical SMILES for (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one is C/C1=C\CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O.
What is the InChIKey of (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one?
The InChIKey is JOQILOMKLDOWGX-NLHFMICRSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-5-3-7-12(2)9-14-10-13(8-4-6-11)15(16)17-14/h6-7,10,14H,3-5,8-9H2,1-2H3/b11-6+,12-7+/t14-/m1/s1.
What are the key properties of (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one?
(4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one has a molecular weight of 232.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one is sourced from PubChem (CID 6326322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).