ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate

C13H20O2 — CID 102411878

IUPACethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate
SMILESCCOC(=O)C1=C[C@@H]2CCCCCC[C@H]12
InChIInChI=1S/C13H20O2/c1-2-15-13(14)12-9-10-7-5-3-4-6-8-11(10)12/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyIRSYJEAFJPOMEC-QWRGUYRKSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds2

About ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate

ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate (PubChem CID 102411878) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate.

Molecular Properties

Compound Nameethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate
PubChem CID102411878
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate
SMILESCCOC(=O)C1=C[C@@H]2CCCCCC[C@H]12
InChIInChI=1S/C13H20O2/c1-2-15-13(14)12-9-10-7-5-3-4-6-8-11(10)12/h9-11H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyIRSYJEAFJPOMEC-QWRGUYRKSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate?
The IUPAC name of ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate (CID 102411878) is ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate.
What is the SMILES notation for ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate?
The canonical SMILES for ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate is CCOC(=O)C1=C[C@@H]2CCCCCC[C@H]12.
What is the InChIKey of ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate?
The InChIKey is IRSYJEAFJPOMEC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-15-13(14)12-9-10-7-5-3-4-6-8-11(10)12/h9-11H,2-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate?
ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate is sourced from PubChem (CID 102411878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).