1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone

C10H14O2 — CID 100983634

IUPAC1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]2O[C@@H]1CC=C2C
InChIInChI=1S/C10H14O2/c1-6-3-4-9-8(7(2)11)5-10(6)12-9/h3,8-10H,4-5H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyZNRDNHSRMSFBLA-IVZWLZJFSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds1

About 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone

1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone (PubChem CID 100983634) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone
PubChem CID100983634
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]2O[C@@H]1CC=C2C
InChIInChI=1S/C10H14O2/c1-6-3-4-9-8(7(2)11)5-10(6)12-9/h3,8-10H,4-5H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyZNRDNHSRMSFBLA-IVZWLZJFSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone with MolForge

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Related Compounds

1-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]ethanone
CID 98101226
1-[(1S,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]ethanone
CID 92950860
1-[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 58114065
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
(1R,3R,4S,8R,9S)-3,7-dimethyl-10-propan-2-ylidene-11-oxatricyclo[6.2.1.04,9]undec-6-ene
CID 102095303
1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
CID 24987776
1-[(1R,6R)-6-acetyl-3,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 130648203
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
[(1S,6S)-6-acetyl-3-methylcyclohex-3-en-1-yl] acetate
CID 11528517
acetic acid;2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 53446902
7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
CID 13220762
acetic acid;(1S,5R,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 71366452

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone?
The IUPAC name of 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone (CID 100983634) is 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone.
What is the SMILES notation for 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone?
The canonical SMILES for 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone is CC(=O)[C@@H]1C[C@H]2O[C@@H]1CC=C2C.
What is the InChIKey of 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone?
The InChIKey is ZNRDNHSRMSFBLA-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-3-4-9-8(7(2)11)5-10(6)12-9/h3,8-10H,4-5H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone?
1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone is sourced from PubChem (CID 100983634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).