2-(cyclohexen-1-yl)cyclohexene-1-carboxylate

C13H17O2- — CID 22364197

IUPAC2-(cyclohexen-1-yl)cyclohexene-1-carboxylate
SMILESO=C([O-])C1=C(C2=CCCCC2)CCCC1
InChIInChI=1S/C13H18O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6H,1-5,7-9H2,(H,14,15)/p-1
InChIKeyCSYQDLKHYIBGLG-UHFFFAOYSA-M
MW205.28 g/mol
LogP2.11
Rot. Bonds2

About 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate

2-(cyclohexen-1-yl)cyclohexene-1-carboxylate (PubChem CID 22364197) has the molecular formula C13H17O2- and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)cyclohexene-1-carboxylate
PubChem CID22364197
Molecular FormulaC13H17O2-
Molecular Weight205.28 g/mol
Exact Mass205.12
IUPAC Name2-(cyclohexen-1-yl)cyclohexene-1-carboxylate
SMILESO=C([O-])C1=C(C2=CCCCC2)CCCC1
InChIInChI=1S/C13H18O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6H,1-5,7-9H2,(H,14,15)/p-1
InChIKeyCSYQDLKHYIBGLG-UHFFFAOYSA-M
XLogP2.11
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate?
The IUPAC name of 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate (CID 22364197) is 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate.
What is the SMILES notation for 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate?
The canonical SMILES for 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate is O=C([O-])C1=C(C2=CCCCC2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate?
The InChIKey is CSYQDLKHYIBGLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6H,1-5,7-9H2,(H,14,15)/p-1.
What are the key properties of 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate?
2-(cyclohexen-1-yl)cyclohexene-1-carboxylate has a molecular weight of 205.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)cyclohexene-1-carboxylate is sourced from PubChem (CID 22364197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).