(1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol

C9H14O2 — CID 130831273

IUPAC(1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol
SMILESC=C[C@H]1O[C@@H]2CCC[C@@H](O)[C@H]12
InChIInChI=1S/C9H14O2/c1-2-7-9-6(10)4-3-5-8(9)11-7/h2,6-10H,1,3-5H2/t6-,7-,8-,9-/m1/s1
InChIKeyXATGBDWGBBQQAV-FNCVBFRFSA-N
MW154.21 g/mol
LogP1.10
Rot. Bonds1

About (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol

(1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol (PubChem CID 130831273) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol.

Molecular Properties

Compound Name(1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol
PubChem CID130831273
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol
SMILESC=C[C@H]1O[C@@H]2CCC[C@@H](O)[C@H]12
InChIInChI=1S/C9H14O2/c1-2-7-9-6(10)4-3-5-8(9)11-7/h2,6-10H,1,3-5H2/t6-,7-,8-,9-/m1/s1
InChIKeyXATGBDWGBBQQAV-FNCVBFRFSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol with MolForge

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Related Compounds

(1R,3S,8R,11S,13R,14S)-13-ethenyl-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-14-ol
CID 11807695
(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 92974259
(1S,8R)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 11435006
2-ethenylcycloheptan-1-ol
CID 101076742
2-[(2R,3R)-3-ethenyloxiran-2-yl]ethanol
CID 10057474
trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 11205806
ethenylcyclohexane;7-oxabicyclo[4.1.0]heptane
CID 175283052
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(1S,2R,3R,6R,7R)-tricyclo[5.3.0.02,6]decan-3-ol
CID 39353118
(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol
CID 130917823

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol?
The IUPAC name of (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol (CID 130831273) is (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol.
What is the SMILES notation for (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol?
The canonical SMILES for (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol is C=C[C@H]1O[C@@H]2CCC[C@@H](O)[C@H]12.
What is the InChIKey of (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol?
The InChIKey is XATGBDWGBBQQAV-FNCVBFRFSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-9-6(10)4-3-5-8(9)11-7/h2,6-10H,1,3-5H2/t6-,7-,8-,9-/m1/s1.
What are the key properties of (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol?
(1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8R)-8-ethenyl-7-oxabicyclo[4.2.0]octan-2-ol is sourced from PubChem (CID 130831273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).