(1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol

C15H22O2 — CID 139182225

IUPAC(1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol
SMILESO[C@@]12CC=CC[C@]13CCC/C=C\C[C@]3(O)CC2
InChIInChI=1S/C15H22O2/c16-14-9-4-2-1-3-7-13(14)8-5-6-10-15(13,17)12-11-14/h2,4-6,16-17H,1,3,7-12H2/b4-2-/t13-,14-,15+/m0/s1
InChIKeyAXHZNXDFOQOYOW-NCJWUYRSSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds

About (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol

(1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol (PubChem CID 139182225) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol.

Molecular Properties

Compound Name(1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol
PubChem CID139182225
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol
SMILESO[C@@]12CC=CC[C@]13CCC/C=C\C[C@]3(O)CC2
InChIInChI=1S/C15H22O2/c16-14-9-4-2-1-3-7-13(14)8-5-6-10-15(13,17)12-11-14/h2,4-6,16-17H,1,3,7-12H2/b4-2-/t13-,14-,15+/m0/s1
InChIKeyAXHZNXDFOQOYOW-NCJWUYRSSA-N
XLogP2.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
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 (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol?
The IUPAC name of (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol (CID 139182225) is (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol.
What is the SMILES notation for (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol?
The canonical SMILES for (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol is O[C@@]12CC=CC[C@]13CCC/C=C\C[C@]3(O)CC2.
What is the InChIKey of (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol?
The InChIKey is AXHZNXDFOQOYOW-NCJWUYRSSA-N. The full InChI is InChI=1S/C15H22O2/c16-14-9-4-2-1-3-7-13(14)8-5-6-10-15(13,17)12-11-14/h2,4-6,16-17H,1,3,7-12H2/b4-2-/t13-,14-,15+/m0/s1.
What are the key properties of (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol?
(1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol has a molecular weight of 234.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol is sourced from PubChem (CID 139182225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).