(1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one

C15H20O2 — CID 71728848

IUPAC(1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one
SMILESCC12CCCCCC3=CC(=O)C=C[C@]31OCC2
InChIInChI=1S/C15H20O2/c1-14-7-4-2-3-5-12-11-13(16)6-8-15(12,14)17-10-9-14/h6,8,11H,2-5,7,9-10H2,1H3/t14?,15-/m0/s1
InChIKeySCGQJWBEHZMIDC-LOACHALJSA-N
MW232.32 g/mol
LogP3.18
Rot. Bonds

About (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one

(1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one (PubChem CID 71728848) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one.

Molecular Properties

Compound Name(1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one
PubChem CID71728848
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one
SMILESCC12CCCCCC3=CC(=O)C=C[C@]31OCC2
InChIInChI=1S/C15H20O2/c1-14-7-4-2-3-5-12-11-13(16)6-8-15(12,14)17-10-9-14/h6,8,11H,2-5,7,9-10H2,1H3/t14?,15-/m0/s1
InChIKeySCGQJWBEHZMIDC-LOACHALJSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one?
The IUPAC name of (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one (CID 71728848) is (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one.
What is the SMILES notation for (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one?
The canonical SMILES for (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one is CC12CCCCCC3=CC(=O)C=C[C@]31OCC2.
What is the InChIKey of (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one?
The InChIKey is SCGQJWBEHZMIDC-LOACHALJSA-N. The full InChI is InChI=1S/C15H20O2/c1-14-7-4-2-3-5-12-11-13(16)6-8-15(12,14)17-10-9-14/h6,8,11H,2-5,7,9-10H2,1H3/t14?,15-/m0/s1.
What are the key properties of (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one?
(1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one has a molecular weight of 232.32 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one is sourced from PubChem (CID 71728848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).