8-oxatricyclo[5.2.0.03,5]non-1(9)-ene

C8H10O — CID 123966166

IUPAC8-oxatricyclo[5.2.0.03,5]non-1(9)-ene
SMILESC1=C2CC3CC3CC2O1
InChIInChI=1S/C8H10O/c1-5-2-7-4-9-8(7)3-6(1)5/h4-6,8H,1-3H2
InChIKeyHUHUGKPMONWVER-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.70
Rot. Bonds

About 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene

8-oxatricyclo[5.2.0.03,5]non-1(9)-ene (PubChem CID 123966166) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene.

Molecular Properties

Compound Name8-oxatricyclo[5.2.0.03,5]non-1(9)-ene
PubChem CID123966166
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name8-oxatricyclo[5.2.0.03,5]non-1(9)-ene
SMILESC1=C2CC3CC3CC2O1
InChIInChI=1S/C8H10O/c1-5-2-7-4-9-8(7)3-6(1)5/h4-6,8H,1-3H2
InChIKeyHUHUGKPMONWVER-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
CID 14398334
3,4-dimethylbicyclo[4.1.0]hept-3-ene
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(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
CID 101427914
2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran
CID 71108604
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(1Z)-tricyclo[7.1.0.04,6]dec-1-ene
CID 10441753
3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane
CID 163850420
(2S,3R,6S,7R)-2,3,6,7-tetramethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-xanthene
CID 168803453
(1S,4R,6R)-4-methylbicyclo[4.1.0]heptan-3-one;propane
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Frequently Asked Questions

What is the IUPAC name of 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene?
The IUPAC name of 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene (CID 123966166) is 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene.
What is the SMILES notation for 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene?
The canonical SMILES for 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene is C1=C2CC3CC3CC2O1.
What is the InChIKey of 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene?
The InChIKey is HUHUGKPMONWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-5-2-7-4-9-8(7)3-6(1)5/h4-6,8H,1-3H2.
What are the key properties of 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene?
8-oxatricyclo[5.2.0.03,5]non-1(9)-ene has a molecular weight of 122.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatricyclo[5.2.0.03,5]non-1(9)-ene is sourced from PubChem (CID 123966166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).