(1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one

C10H12O2 — CID 10899020

IUPAC(1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1C[C@@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H12O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,5-7,9-11H,3-4H2/t5-,6+,7+,9+,10-/m0/s1
InChIKeyFQKCGGPOWHFPKQ-FLTSUQCPSA-N
MW164.20 g/mol
LogP0.76
Rot. Bonds

About (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one

(1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 10899020) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID10899020
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1C[C@@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H12O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,5-7,9-11H,3-4H2/t5-,6+,7+,9+,10-/m0/s1
InChIKeyFQKCGGPOWHFPKQ-FLTSUQCPSA-N
XLogP0.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.76
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 (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one (CID 10899020) is (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1C[C@@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is FQKCGGPOWHFPKQ-FLTSUQCPSA-N. The full InChI is InChI=1S/C10H12O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,5-7,9-11H,3-4H2/t5-,6+,7+,9+,10-/m0/s1.
What are the key properties of (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 164.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6S,7R)-5-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 10899020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).