ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate

C11H14O4 — CID 66902478

IUPACethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCCOC(=O)[C@H]1C2CC=C(OC(C)=O)C21
InChIInChI=1S/C11H14O4/c1-3-14-11(13)10-7-4-5-8(9(7)10)15-6(2)12/h5,7,9-10H,3-4H2,1-2H3/t7?,9?,10-/m0/s1
InChIKeyDQXJWCUTCIZBSC-GDRRJGKNSA-N
MW210.23 g/mol
LogP1.26
Rot. Bonds3

About ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate

ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate (PubChem CID 66902478) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
PubChem CID66902478
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCCOC(=O)[C@H]1C2CC=C(OC(C)=O)C21
InChIInChI=1S/C11H14O4/c1-3-14-11(13)10-7-4-5-8(9(7)10)15-6(2)12/h5,7,9-10H,3-4H2,1-2H3/t7?,9?,10-/m0/s1
InChIKeyDQXJWCUTCIZBSC-GDRRJGKNSA-N
XLogP1.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
The IUPAC name of ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate (CID 66902478) is ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate.
What is the SMILES notation for ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
The canonical SMILES for ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate is CCOC(=O)[C@H]1C2CC=C(OC(C)=O)C21.
What is the InChIKey of ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
The InChIKey is DQXJWCUTCIZBSC-GDRRJGKNSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-14-11(13)10-7-4-5-8(9(7)10)15-6(2)12/h5,7,9-10H,3-4H2,1-2H3/t7?,9?,10-/m0/s1.
What are the key properties of ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-2-acetyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate is sourced from PubChem (CID 66902478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).