(5E,9Z)-cyclododeca-5,9-diene-1,2-diol

C12H20O2 — CID 5364365

IUPAC(5E,9Z)-cyclododeca-5,9-diene-1,2-diol
SMILESOC1CC/C=C\CC/C=C/CCC1O
InChIInChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-14H,1-2,7-10H2/b5-3-,6-4+
InChIKeyBHYILZSOXKSYCF-CIIODKQPSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds

About (5E,9Z)-cyclododeca-5,9-diene-1,2-diol

(5E,9Z)-cyclododeca-5,9-diene-1,2-diol (PubChem CID 5364365) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5E,9Z)-cyclododeca-5,9-diene-1,2-diol.

Molecular Properties

Compound Name(5E,9Z)-cyclododeca-5,9-diene-1,2-diol
PubChem CID5364365
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5E,9Z)-cyclododeca-5,9-diene-1,2-diol
SMILESOC1CC/C=C\CC/C=C/CCC1O
InChIInChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-14H,1-2,7-10H2/b5-3-,6-4+
InChIKeyBHYILZSOXKSYCF-CIIODKQPSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,9Z)-cyclododeca-5,9-diene-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E,9Z)-cyclododeca-5,9-diene-1,2-diol?
The IUPAC name of (5E,9Z)-cyclododeca-5,9-diene-1,2-diol (CID 5364365) is (5E,9Z)-cyclododeca-5,9-diene-1,2-diol.
What is the SMILES notation for (5E,9Z)-cyclododeca-5,9-diene-1,2-diol?
The canonical SMILES for (5E,9Z)-cyclododeca-5,9-diene-1,2-diol is OC1CC/C=C\CC/C=C/CCC1O.
What is the InChIKey of (5E,9Z)-cyclododeca-5,9-diene-1,2-diol?
The InChIKey is BHYILZSOXKSYCF-CIIODKQPSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-14H,1-2,7-10H2/b5-3-,6-4+.
What are the key properties of (5E,9Z)-cyclododeca-5,9-diene-1,2-diol?
(5E,9Z)-cyclododeca-5,9-diene-1,2-diol has a molecular weight of 196.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9Z)-cyclododeca-5,9-diene-1,2-diol is sourced from PubChem (CID 5364365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).