cyclohexen-1-yl cyclohexene-1-carboxylate

C13H18O2 — CID 57160556

IUPACcyclohexen-1-yl cyclohexene-1-carboxylate
SMILESO=C(OC1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C13H18O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyBMLVHNHIANCYSG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.49
Rot. Bonds2

About cyclohexen-1-yl cyclohexene-1-carboxylate

cyclohexen-1-yl cyclohexene-1-carboxylate (PubChem CID 57160556) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is cyclohexen-1-yl cyclohexene-1-carboxylate.

Molecular Properties

Compound Namecyclohexen-1-yl cyclohexene-1-carboxylate
PubChem CID57160556
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namecyclohexen-1-yl cyclohexene-1-carboxylate
SMILESO=C(OC1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C13H18O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2
InChIKeyBMLVHNHIANCYSG-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl cyclohexene-1-carboxylate?
The IUPAC name of cyclohexen-1-yl cyclohexene-1-carboxylate (CID 57160556) is cyclohexen-1-yl cyclohexene-1-carboxylate.
What is the SMILES notation for cyclohexen-1-yl cyclohexene-1-carboxylate?
The canonical SMILES for cyclohexen-1-yl cyclohexene-1-carboxylate is O=C(OC1=CCCCC1)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl cyclohexene-1-carboxylate?
The InChIKey is BMLVHNHIANCYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h7,9H,1-6,8,10H2.
What are the key properties of cyclohexen-1-yl cyclohexene-1-carboxylate?
cyclohexen-1-yl cyclohexene-1-carboxylate has a molecular weight of 206.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl cyclohexene-1-carboxylate is sourced from PubChem (CID 57160556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).