(2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one

C13H14O2 — CID 154716882

IUPAC(2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one
SMILESO=C1C[C@@H]2CCCc3ccccc3[C@@H]2O1
InChIInChI=1S/C13H14O2/c14-12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)15-12/h1-2,4,7,10,13H,3,5-6,8H2/t10-,13+/m0/s1
InChIKeyYDYCFIPWHIISBP-GXFFZTMASA-N
MW202.25 g/mol
LogP2.63
Rot. Bonds

About (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one

(2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one (PubChem CID 154716882) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one.

Molecular Properties

Compound Name(2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one
PubChem CID154716882
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one
SMILESO=C1C[C@@H]2CCCc3ccccc3[C@@H]2O1
InChIInChI=1S/C13H14O2/c14-12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)15-12/h1-2,4,7,10,13H,3,5-6,8H2/t10-,13+/m0/s1
InChIKeyYDYCFIPWHIISBP-GXFFZTMASA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one
CID 90721779
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739442
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714116
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one?
The IUPAC name of (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one (CID 154716882) is (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one.
What is the SMILES notation for (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one?
The canonical SMILES for (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one is O=C1C[C@@H]2CCCc3ccccc3[C@@H]2O1.
What is the InChIKey of (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one?
The InChIKey is YDYCFIPWHIISBP-GXFFZTMASA-N. The full InChI is InChI=1S/C13H14O2/c14-12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)15-12/h1-2,4,7,10,13H,3,5-6,8H2/t10-,13+/m0/s1.
What are the key properties of (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one?
(2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one has a molecular weight of 202.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one is sourced from PubChem (CID 154716882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).