(1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene

C8H10O — CID 135038181

IUPAC(1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC=C1C=C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C8H10O/c1-6-2-3-7-4-5-8(6)9-7/h2-3,7-8H,1,4-5H2/t7-,8-/m0/s1
InChIKeyGNXNYLWGCOYDSJ-YUMQZZPRSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene

(1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 135038181) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID135038181
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC=C1C=C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C8H10O/c1-6-2-3-7-4-5-8(6)9-7/h2-3,7-8H,1,4-5H2/t7-,8-/m0/s1
InChIKeyGNXNYLWGCOYDSJ-YUMQZZPRSA-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

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Related Compounds

7-Oxabicyclo(2.2.1)hept-2-ene, 5,6-bis(methylene)-
CID 143374
9-Oxabicyclo(4.2.1)nona-2,4-diene
CID 140579
8-Oxabicyclo(3.2.1)oct-3-ene
CID 18413946
(2R)-2-(cyclohexen-1-yl)-2,5-dihydrofuran
CID 10012080
7-Tetrahydrobenzofuran
CID 17799099
1,2,3,4,4a,5a,6,7-Octahydrodibenzofuran
CID 57346130
Hexahydrodibenzofuran
CID 66608734
Oxabicyclo[3.2.1]octadiene
CID 68853780
Tetrahydronaphthofuran
CID 88795225
3h-Styrene oxide
CID 89194236
2h-3,9a-Methano-1-benzoxepin
CID 132118365
7-Fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran
CID 134238646

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene (CID 135038181) is (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene is C=C1C=C[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is GNXNYLWGCOYDSJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H10O/c1-6-2-3-7-4-5-8(6)9-7/h2-3,7-8H,1,4-5H2/t7-,8-/m0/s1.
What are the key properties of (1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene?
(1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-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)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 135038181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).