(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

C9H12O2 — CID 11147824

IUPAC(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESO[C@@H]1OC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-10H,3-4H2/t5-,6+,7-,8+,9-/m1/s1
InChIKeyMSPXLDIYOLJENY-QKCLAQEOSA-N
MW152.19 g/mol
LogP0.77
Rot. Bonds

About (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (PubChem CID 11147824) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.

Molecular Properties

Compound Name(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
PubChem CID11147824
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESO[C@@H]1OC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-10H,3-4H2/t5-,6+,7-,8+,9-/m1/s1
InChIKeyMSPXLDIYOLJENY-QKCLAQEOSA-N
XLogP0.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The IUPAC name of (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (CID 11147824) is (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.
What is the SMILES notation for (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The canonical SMILES for (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is O[C@@H]1OC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The InChIKey is MSPXLDIYOLJENY-QKCLAQEOSA-N. The full InChI is InChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-10H,3-4H2/t5-,6+,7-,8+,9-/m1/s1.
What are the key properties of (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol has a molecular weight of 152.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is sourced from PubChem (CID 11147824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).