[(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate

C13H14O2 — CID 11275694

IUPAC[(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H]2C[C@@H]1c1ccccc12
InChIInChI=1S/C13H14O2/c1-8(14)15-13-7-9-6-12(13)11-5-3-2-4-10(9)11/h2-5,9,12-13H,6-7H2,1H3/t9-,12-,13-/m1/s1
InChIKeyXGVBJBSVOVYFOC-OASPWFOLSA-N
MW202.25 g/mol
LogP2.59
Rot. Bonds1

About [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate

[(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate (PubChem CID 11275694) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate.

Molecular Properties

Compound Name[(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate
PubChem CID11275694
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name[(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H]2C[C@@H]1c1ccccc12
InChIInChI=1S/C13H14O2/c1-8(14)15-13-7-9-6-12(13)11-5-3-2-4-10(9)11/h2-5,9,12-13H,6-7H2,1H3/t9-,12-,13-/m1/s1
InChIKeyXGVBJBSVOVYFOC-OASPWFOLSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate 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-Phenyl-2-norbornyl acetate
CID 144470
9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalen-2(R(S))-diol (9)
CID 129012253
9-(Acetoxymethyl)fluorene
CID 540179
2,3-Dihydro-1H-inden-2-yl acetate
CID 575759
1,4-Methanonaphthalene, 2,3-epoxy-1,2,3,4-tetrahydro-, exo-2,3-
CID 582272
(2-Phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
CID 91486784
(1aS)-2beta,7beta-Methano-1aalpha,2,7,7aalpha-tetrahydronaphtho[2,3-b]oxirene
CID 13467286
9H-fluoren-9-ylmethyl 3-methylbutanoate
CID 22020159
9-Fluorenylmethyl 2-butynoate
CID 22272244
1,4-Methanonaphthalene-1(2H)-methanol, 2-(acetyloxy)-3,4-dihydro-, acetate
CID 372428
(2-fluoro-9H-fluoren-9-yl)methyl acetate
CID 137514118
1,2,3,4-Tetrahydro-1,4-methanonaphthalen-2-yl formate
CID 267195

Frequently Asked Questions

What is the IUPAC name of [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
The IUPAC name of [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate (CID 11275694) is [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate.
What is the SMILES notation for [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
The canonical SMILES for [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate is CC(=O)O[C@@H]1C[C@H]2C[C@@H]1c1ccccc12.
What is the InChIKey of [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
The InChIKey is XGVBJBSVOVYFOC-OASPWFOLSA-N. The full InChI is InChI=1S/C13H14O2/c1-8(14)15-13-7-9-6-12(13)11-5-3-2-4-10(9)11/h2-5,9,12-13H,6-7H2,1H3/t9-,12-,13-/m1/s1.
What are the key properties of [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
[(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate has a molecular weight of 202.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate is sourced from PubChem (CID 11275694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).