4-oxatricyclo[5.2.1.02,6]dec-8-ene

C9H12O — CID 548729

IUPAC4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1COCC21
InChIInChI=1S/C9H12O/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-9H,3-5H2
InChIKeyKTONMPPWCXZPDT-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.45
Rot. Bonds

About 4-oxatricyclo[5.2.1.02,6]dec-8-ene

4-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 548729) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name4-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID548729
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1COCC21
InChIInChI=1S/C9H12O/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-9H,3-5H2
InChIKeyKTONMPPWCXZPDT-UHFFFAOYSA-N
XLogP1.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.45
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

(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 134993872
5-(2-Bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 12574061
5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
3,3,5,5-Tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 15537080
5-(2,2,2-Trifluoroethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813249
5-(Fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 66601762
5-(3,3,3-Trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 71171150
3,3-Difluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 141593731
(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 12485265
5,6-Bis(ethoxymethyl)-bicyclo[2.2.1]hept-2-ene
CID 72301992
Magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide
CID 134897394

Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 4-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 548729) is 4-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 4-oxatricyclo[5.2.1.02,6]dec-8-ene is C1=CC2CC1C1COCC21.
What is the InChIKey of 4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is KTONMPPWCXZPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-9H,3-5H2.
What are the key properties of 4-oxatricyclo[5.2.1.02,6]dec-8-ene?
4-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 136.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 548729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).