tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol

C10H14O2 — CID 85299267

IUPACtricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
SMILESOC1CC(O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H14O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,5-12H,3-4H2
InChIKeyCNPHCFOUWRFDEM-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.55
Rot. Bonds

About tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol

tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol (PubChem CID 85299267) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
PubChem CID85299267
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nametricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
SMILESOC1CC(O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H14O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,5-12H,3-4H2
InChIKeyCNPHCFOUWRFDEM-UHFFFAOYSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
The IUPAC name of tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol (CID 85299267) is tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol.
What is the SMILES notation for tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
The canonical SMILES for tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol is OC1CC(O)C2C3C=CC(C3)C12.
What is the InChIKey of tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
The InChIKey is CNPHCFOUWRFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,5-12H,3-4H2.
What are the key properties of tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol has a molecular weight of 166.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol is sourced from PubChem (CID 85299267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).