[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate

C17H26O3 — CID 124858757

IUPAC[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H26O3/c1-17(2)15-13(5-6-19-15)16(17)20-14(18)9-12-8-10-3-4-11(12)7-10/h10-13,15-16H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+/m0/s1
InChIKeyQZQYRPMXSNNKRB-OBPPPDSMSA-N
MW278.39 g/mol
LogP3.17
Rot. Bonds3

About [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate

[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate (PubChem CID 124858757) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate.

Molecular Properties

Compound Name[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
PubChem CID124858757
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H26O3/c1-17(2)15-13(5-6-19-15)16(17)20-14(18)9-12-8-10-3-4-11(12)7-10/h10-13,15-16H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+/m0/s1
InChIKeyQZQYRPMXSNNKRB-OBPPPDSMSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-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

ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
(3-methoxycyclohexyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 71899358
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946070
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone
CID 115784897
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 4-nitrobenzoate
CID 100893372
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 113344037

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The IUPAC name of [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate (CID 124858757) is [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate.
What is the SMILES notation for [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The canonical SMILES for [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate is CC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
The InChIKey is QZQYRPMXSNNKRB-OBPPPDSMSA-N. The full InChI is InChI=1S/C17H26O3/c1-17(2)15-13(5-6-19-15)16(17)20-14(18)9-12-8-10-3-4-11(12)7-10/h10-13,15-16H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+/m0/s1.
What are the key properties of [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate?
[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate has a molecular weight of 278.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate is sourced from PubChem (CID 124858757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).