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

C10H12O2 — CID 11412574

IUPAC(1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CC[C@H]2[C@H]3C=C[C@H]([C@H]3O)[C@@H]12
InChIInChI=1S/C10H12O2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h1-2,5-7,9-10,12H,3-4H2/t5-,6+,7-,9-,10-/m0/s1
InChIKeyJMYRTKFPUSIMKY-ZVKZPEPKSA-N
MW164.20 g/mol
LogP0.76
Rot. Bonds

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

(1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 11412574) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID11412574
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CC[C@H]2[C@H]3C=C[C@H]([C@H]3O)[C@@H]12
InChIInChI=1S/C10H12O2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h1-2,5-7,9-10,12H,3-4H2/t5-,6+,7-,9-,10-/m0/s1
InChIKeyJMYRTKFPUSIMKY-ZVKZPEPKSA-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,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one (CID 11412574) is (1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1CC[C@H]2[C@H]3C=C[C@H]([C@H]3O)[C@@H]12.
What is the InChIKey of (1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is JMYRTKFPUSIMKY-ZVKZPEPKSA-N. The full InChI is InChI=1S/C10H12O2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h1-2,5-7,9-10,12H,3-4H2/t5-,6+,7-,9-,10-/m0/s1.
What are the key properties of (1S,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2S,6S,7R,10S)-10-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,2S,6S,7R,10S)-10-hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 11412574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).