(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene

C8H10O — CID 11434937

IUPAC(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene
SMILESC1=C[C@H]2CC=C[C@@H](C1)O2
InChIInChI=1S/C8H10O/c1-3-7-5-2-6-8(4-1)9-7/h1-3,6-8H,4-5H2/t7-,8+/m0/s1
InChIKeyVNUFFRQZHQDEQT-JGVFFNPUSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene

(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene (PubChem CID 11434937) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene.

Molecular Properties

Compound Name(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene
PubChem CID11434937
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene
SMILESC1=C[C@H]2CC=C[C@@H](C1)O2
InChIInChI=1S/C8H10O/c1-3-7-5-2-6-8(4-1)9-7/h1-3,6-8H,4-5H2/t7-,8+/m0/s1
InChIKeyVNUFFRQZHQDEQT-JGVFFNPUSA-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

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol
CID 11263529
(1S,2S,5S)-9-oxabicyclo[3.3.1]non-6-en-2-ol
CID 12591215
(4S)-7-oxabicyclo[2.2.1]hept-2-ene
CID 149332288
3-iodocyclobutene
CID 88872191
(1R,5S)-6,7,8-trioxabicyclo[3.2.1]oct-2-ene
CID 10942385
7-tert-butyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 59620271
3-methylcyclobutene;sulfane
CID 90110313
2-cyclobut-2-en-1-yloxirane
CID 150243675
(1R,2R,3R)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
CID 131201512
6-oxabicyclo[3.2.0]hept-3-ene
CID 176739282
8-oxabicyclo[3.2.1]oct-6-en-3-one;yttrium
CID 135045719
(5S)-6-oxabicyclo[3.2.1]oct-2-en-7-one
CID 142991530

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene?
The IUPAC name of (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene (CID 11434937) is (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene.
What is the SMILES notation for (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene?
The canonical SMILES for (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene is C1=C[C@H]2CC=C[C@@H](C1)O2.
What is the InChIKey of (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene?
The InChIKey is VNUFFRQZHQDEQT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H10O/c1-3-7-5-2-6-8(4-1)9-7/h1-3,6-8H,4-5H2/t7-,8+/m0/s1.
What are the key properties of (1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene?
(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene 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,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene is sourced from PubChem (CID 11434937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).