cyclohexane-1,3-diol;ethenoxyethene

C10H18O3 — CID 69042716

IUPACcyclohexane-1,3-diol;ethenoxyethene
SMILESC=COC=C.OC1CCCC(O)C1
InChIInChI=1S/C6H12O2.C4H6O/c7-5-2-1-3-6(8)4-5;1-3-5-4-2/h5-8H,1-4H2;3-4H,1-2H2
InChIKeyMVTIPKAHVQTIJN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.57
Rot. Bonds2

About cyclohexane-1,3-diol;ethenoxyethene

cyclohexane-1,3-diol;ethenoxyethene (PubChem CID 69042716) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclohexane-1,3-diol;ethenoxyethene.

Molecular Properties

Compound Namecyclohexane-1,3-diol;ethenoxyethene
PubChem CID69042716
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclohexane-1,3-diol;ethenoxyethene
SMILESC=COC=C.OC1CCCC(O)C1
InChIInChI=1S/C6H12O2.C4H6O/c7-5-2-1-3-6(8)4-5;1-3-5-4-2/h5-8H,1-4H2;3-4H,1-2H2
InChIKeyMVTIPKAHVQTIJN-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze cyclohexane-1,3-diol;ethenoxyethene 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 cyclohexane-1,3-diol;ethenoxyethene?
The IUPAC name of cyclohexane-1,3-diol;ethenoxyethene (CID 69042716) is cyclohexane-1,3-diol;ethenoxyethene.
What is the SMILES notation for cyclohexane-1,3-diol;ethenoxyethene?
The canonical SMILES for cyclohexane-1,3-diol;ethenoxyethene is C=COC=C.OC1CCCC(O)C1.
What is the InChIKey of cyclohexane-1,3-diol;ethenoxyethene?
The InChIKey is MVTIPKAHVQTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H6O/c7-5-2-1-3-6(8)4-5;1-3-5-4-2/h5-8H,1-4H2;3-4H,1-2H2.
What are the key properties of cyclohexane-1,3-diol;ethenoxyethene?
cyclohexane-1,3-diol;ethenoxyethene has a molecular weight of 186.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,3-diol;ethenoxyethene is sourced from PubChem (CID 69042716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).