(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol

C12H18O2 — CID 102330516

IUPAC(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol
SMILESO[C@@H]1CC/C=C/CC/C=C\C[C@H]2O[C@@H]12
InChIInChI=1S/C12H18O2/c13-10-8-6-4-2-1-3-5-7-9-11-12(10)14-11/h2,4-5,7,10-13H,1,3,6,8-9H2/b4-2+,7-5-/t10-,11-,12+/m1/s1
InChIKeyAFVVDFJMXHMRQG-PXBOORHDSA-N
MW194.27 g/mol
LogP2.19
Rot. Bonds

About (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol

(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol (PubChem CID 102330516) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol.

Molecular Properties

Compound Name(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol
PubChem CID102330516
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol
SMILESO[C@@H]1CC/C=C/CC/C=C\C[C@H]2O[C@@H]12
InChIInChI=1S/C12H18O2/c13-10-8-6-4-2-1-3-5-7-9-11-12(10)14-11/h2,4-5,7,10-13H,1,3,6,8-9H2/b4-2+,7-5-/t10-,11-,12+/m1/s1
InChIKeyAFVVDFJMXHMRQG-PXBOORHDSA-N
XLogP2.19
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 92974259
(1S,8R)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 11435006
9-oxabicyclo[6.1.0]non-3-ene
CID 548984
(3Z)-10-oxabicyclo[7.1.0]dec-3-ene
CID 12742771
(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol
CID 13049643
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205
(1S,8R)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 124665894
(1R,2S,6S,8R,9S)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 99944902
(1S,2R,6S,8S,9R)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 129407476
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol?
The IUPAC name of (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol (CID 102330516) is (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol.
What is the SMILES notation for (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol?
The canonical SMILES for (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol is O[C@@H]1CC/C=C/CC/C=C\C[C@H]2O[C@@H]12.
What is the InChIKey of (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol?
The InChIKey is AFVVDFJMXHMRQG-PXBOORHDSA-N. The full InChI is InChI=1S/C12H18O2/c13-10-8-6-4-2-1-3-5-7-9-11-12(10)14-11/h2,4-5,7,10-13H,1,3,6,8-9H2/b4-2+,7-5-/t10-,11-,12+/m1/s1.
What are the key properties of (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol?
(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol is sourced from PubChem (CID 102330516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).