[(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate

C15H16O4 — CID 10106669

IUPAC[(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate
SMILESCC(=O)O[C@H]1[C@@H]2c3ccccc3[C@H]1C[C@@H]2OC(C)=O
InChIInChI=1S/C15H16O4/c1-8(16)18-13-7-12-10-5-3-4-6-11(10)14(13)15(12)19-9(2)17/h3-6,12-15H,7H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyXISCOWJGJMFYTG-LXTVHRRPSA-N
MW260.29 g/mol
LogP2.13
Rot. Bonds2

About [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate

[(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate (PubChem CID 10106669) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate.

Molecular Properties

Compound Name[(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate
PubChem CID10106669
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name[(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate
SMILESCC(=O)O[C@H]1[C@@H]2c3ccccc3[C@H]1C[C@@H]2OC(C)=O
InChIInChI=1S/C15H16O4/c1-8(16)18-13-7-12-10-5-3-4-6-11(10)14(13)15(12)19-9(2)17/h3-6,12-15H,7H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyXISCOWJGJMFYTG-LXTVHRRPSA-N
XLogP2.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate with MolForge

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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
1,4-Methanonaphthalene-1(2H)-methanol, 2-(acetyloxy)-3,4-dihydro-, acetate
CID 372428
1,2,3,4-Tetrahydro-1,4-methanonaphthalen-2-yl formate
CID 267195
1-Acetoxy-1-(9-fluorenyl)ethane
CID 540010
2-Methoxybenzonorbornene
CID 13272593
2-((1R(S),2R(S))-2-Acetoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl acetate
CID 72376316
[(1S,2S)-2-acetyloxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl acetate
CID 177856803
[(9S,11R)-11-(2,2,2-trifluoroacetyl)oxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2,2,2-trifluoroacetate
CID 102182617
2-Methoxy-2,3-dimethylbenzonorbornene
CID 575756
2-Methoxy-2,9-dimethylbenzonorbornene
CID 575788
syn-7-Acetoxybenzonorbornene
CID 582307

Frequently Asked Questions

What is the IUPAC name of [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
The IUPAC name of [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate (CID 10106669) is [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate.
What is the SMILES notation for [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
The canonical SMILES for [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate is CC(=O)O[C@H]1[C@@H]2c3ccccc3[C@H]1C[C@@H]2OC(C)=O.
What is the InChIKey of [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
The InChIKey is XISCOWJGJMFYTG-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H16O4/c1-8(16)18-13-7-12-10-5-3-4-6-11(10)14(13)15(12)19-9(2)17/h3-6,12-15H,7H2,1-2H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate?
[(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate has a molecular weight of 260.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8R,9S,11R)-11-acetyloxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate is sourced from PubChem (CID 10106669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).