(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one

C8H8O3 — CID 124604928

IUPAC(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1OC[C@H]2[C@H]1[C@H]1C=C[C@H]2O1
InChIInChI=1S/C8H8O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-7H,3H2/t4-,5-,6-,7+/m1/s1
InChIKeyKIAQKKYOUVIGII-GBNDHIKLSA-N
MW152.15 g/mol
LogP0.11
Rot. Bonds

About (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one

(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 124604928) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID124604928
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1OC[C@H]2[C@H]1[C@H]1C=C[C@H]2O1
InChIInChI=1S/C8H8O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-7H,3H2/t4-,5-,6-,7+/m1/s1
InChIKeyKIAQKKYOUVIGII-GBNDHIKLSA-N
XLogP0.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 124604928) is (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1OC[C@H]2[C@H]1[C@H]1C=C[C@H]2O1.
What is the InChIKey of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is KIAQKKYOUVIGII-GBNDHIKLSA-N. The full InChI is InChI=1S/C8H8O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-7H,3H2/t4-,5-,6-,7+/m1/s1.
What are the key properties of (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 152.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 124604928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).