(1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene

C8H10O — CID 102324955

IUPAC(1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene
SMILESC=C1C[C@H]2C=C[C@@H](C1)O2
InChIInChI=1S/C8H10O/c1-6-4-7-2-3-8(5-6)9-7/h2-3,7-8H,1,4-5H2/t7-,8+
InChIKeyXAOOLGFPUPUTIK-OCAPTIKFSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene

(1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene (PubChem CID 102324955) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name(1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene
PubChem CID102324955
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene
SMILESC=C1C[C@H]2C=C[C@@H](C1)O2
InChIInChI=1S/C8H10O/c1-6-4-7-2-3-8(5-6)9-7/h2-3,7-8H,1,4-5H2/t7-,8+
InChIKeyXAOOLGFPUPUTIK-OCAPTIKFSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
7-Oxabicyclo(2.2.1)hept-2-ene, 5,6-bis(methylene)-
CID 143374
2,4,5,6,7,7a-Hexahydro-1-benzofuran
CID 275994
8-Oxabicyclo(3.2.1)oct-3-ene
CID 18413946
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-
CID 11708083
(2R)-2-(cyclohexen-1-yl)-2,5-dihydrofuran
CID 10012080
3-Butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran
CID 15892522
2,3-Dibutyl-4-prop-2-enyl-2,5-dihydrofuran
CID 15892523
(E)-2-(Prop-1-en-1-yl)tetrahydro-2H-pyran
CID 11412382
8-Oxabicyclo[3.2.1]oct-6-ene
CID 12625720
2-methyl-6-[(E)-prop-1-enyl]oxane
CID 14447586

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene (CID 102324955) is (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene is C=C1C[C@H]2C=C[C@@H](C1)O2.
What is the InChIKey of (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene?
The InChIKey is XAOOLGFPUPUTIK-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H10O/c1-6-4-7-2-3-8(5-6)9-7/h2-3,7-8H,1,4-5H2/t7-,8+.
What are the key properties of (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene?
(1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene has a molecular weight of 122.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 102324955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).