(1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene

C8H12O — CID 6994296

IUPAC(1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene
SMILESC1=C\CC[C@H]2O[C@H]2CC/1
InChIInChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-/t7-,8+
InChIKeyYWFPXWMSGJXUFS-VMPVEFHESA-N
MW124.18 g/mol
LogP1.88
Rot. Bonds

About (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene

(1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene (PubChem CID 6994296) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene.

Molecular Properties

Compound Name(1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene
PubChem CID6994296
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene
SMILESC1=C\CC[C@H]2O[C@H]2CC/1
InChIInChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-/t7-,8+
InChIKeyYWFPXWMSGJXUFS-VMPVEFHESA-N
XLogP1.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-Oxabicyclo[6.1.0]non-4-ene
CID 5356565
1,2-Epoxy-5,9-cyclododecadiene
CID 5357430
17-Oxabicyclo[14.1.0]heptadec-8-ene
CID 19838536
1,2-Epoxy-cyclohexadec-9-ene
CID 54230859
17-Oxabicyclo(14.1.0)heptadec-8-ene
CID 56841879
9-Oxabicyclo(6.1.0)non-2-ene
CID 5875583
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
5,6-Epoxycyclooctene
CID 96238
CID 110916
CID 110916
5-Methoxy-cyclooctene
CID 5365282
(4Z,8E)-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 13049640
trans-1,2-Epoxy-(z,e)-cyclododeca-5,9-diene
CID 23308884

Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene?
The IUPAC name of (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene (CID 6994296) is (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene.
What is the SMILES notation for (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene?
The canonical SMILES for (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene is C1=C\CC[C@H]2O[C@H]2CC/1.
What is the InChIKey of (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene?
The InChIKey is YWFPXWMSGJXUFS-VMPVEFHESA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-/t7-,8+.
What are the key properties of (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene?
(1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene has a molecular weight of 124.18 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8R)-9-oxabicyclo[6.1.0]non-4-ene is sourced from PubChem (CID 6994296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).