[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate

C11H16O4 — CID 124895533

IUPAC[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]2CC[C@@H]1[C@H](OC(C)=O)C2
InChIInChI=1S/C11H16O4/c1-6(12)14-10-5-8-3-4-9(10)11(8)15-7(2)13/h8-11H,3-5H2,1-2H3/t8-,9-,10-,11-/m1/s1
InChIKeyLNTSWTDQYLJUEX-GWOFURMSSA-N
MW212.24 g/mol
LogP1.28
Rot. Bonds2

About [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate

[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate (PubChem CID 124895533) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate.

Molecular Properties

Compound Name[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
PubChem CID124895533
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]2CC[C@@H]1[C@H](OC(C)=O)C2
InChIInChI=1S/C11H16O4/c1-6(12)14-10-5-8-3-4-9(10)11(8)15-7(2)13/h8-11H,3-5H2,1-2H3/t8-,9-,10-,11-/m1/s1
InChIKeyLNTSWTDQYLJUEX-GWOFURMSSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] 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

[(1S,2R,5S,6R)-2-hydroxy-6-bicyclo[3.1.1]heptanyl] acetate
CID 45091109
[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate
CID 14900530
3-tetracyclo[5.3.1.12,6.04,9]dodecanyl acetate
CID 594790
[(1S,2S,3S,4S)-3-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 6579410
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide
CID 162013493
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1R,2S,4S,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl] acetate
CID 124920048
2-bicyclo[1.1.1]pentanyl acetate
CID 23270357
[(1R,2S,5S,8R)-2-(1-methylpiperidin-1-ium-1-yl)-8-bicyclo[3.2.1]octanyl] acetate
CID 928184
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
CID 10678468

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate?
The IUPAC name of [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate (CID 124895533) is [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate.
What is the SMILES notation for [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate?
The canonical SMILES for [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate is CC(=O)O[C@@H]1[C@@H]2CC[C@@H]1[C@H](OC(C)=O)C2.
What is the InChIKey of [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate?
The InChIKey is LNTSWTDQYLJUEX-GWOFURMSSA-N. The full InChI is InChI=1S/C11H16O4/c1-6(12)14-10-5-8-3-4-9(10)11(8)15-7(2)13/h8-11H,3-5H2,1-2H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate?
[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate has a molecular weight of 212.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate is sourced from PubChem (CID 124895533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).