cyclohexen-1-yl cyclohexanecarboxylate

C13H20O2 — CID 18622426

IUPACcyclohexen-1-yl cyclohexanecarboxylate
SMILESO=C(OC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C13H20O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h9,11H,1-8,10H2
InChIKeyPTXGLLNCVRLSRI-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.57
Rot. Bonds2

About cyclohexen-1-yl cyclohexanecarboxylate

cyclohexen-1-yl cyclohexanecarboxylate (PubChem CID 18622426) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohexen-1-yl cyclohexanecarboxylate.

Molecular Properties

Compound Namecyclohexen-1-yl cyclohexanecarboxylate
PubChem CID18622426
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecyclohexen-1-yl cyclohexanecarboxylate
SMILESO=C(OC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C13H20O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h9,11H,1-8,10H2
InChIKeyPTXGLLNCVRLSRI-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexen-1-yl cyclohexanecarboxylate 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 cyclohexen-1-yl cyclohexanecarboxylate?
The IUPAC name of cyclohexen-1-yl cyclohexanecarboxylate (CID 18622426) is cyclohexen-1-yl cyclohexanecarboxylate.
What is the SMILES notation for cyclohexen-1-yl cyclohexanecarboxylate?
The canonical SMILES for cyclohexen-1-yl cyclohexanecarboxylate is O=C(OC1=CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexen-1-yl cyclohexanecarboxylate?
The InChIKey is PTXGLLNCVRLSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h9,11H,1-8,10H2.
What are the key properties of cyclohexen-1-yl cyclohexanecarboxylate?
cyclohexen-1-yl cyclohexanecarboxylate has a molecular weight of 208.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl cyclohexanecarboxylate is sourced from PubChem (CID 18622426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).