ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate

C10H14O4 — CID 10910481

IUPACethyl (5S)-5-acetyloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCC[C@@H]1OC(C)=O
InChIInChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyZRBIIJNQSLHRAQ-VIFPVBQESA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds3

About ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate

ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate (PubChem CID 10910481) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-5-acetyloxycyclopentene-1-carboxylate
PubChem CID10910481
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl (5S)-5-acetyloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCC[C@@H]1OC(C)=O
InChIInChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyZRBIIJNQSLHRAQ-VIFPVBQESA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-oxocyclopenten-1-yl)methyl (E)-but-2-enoate
CID 10397387
16-Oxosarcoglaucol Acetate
CID 11384096
4-Carboxymethyl-3-methylbut-2-en-1,4-olide
CID 97808
Manshurolide
CID 14527198
3-butyl-2(5H)-furanone
CID 11768654
13-Acetoxy 3beta-tigloyl-germacra-1(10)E,4E,7(11)-trien-12,6alpha-olide
CID 643636
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
[(6E,9S,10E,11aR)-3-(acetyloxymethyl)-6,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] propanoate
CID 162966737
(6E,10E,11aR)-3,6,10-trimethyl-5,8,9,11a-tetrahydrocyclodeca[b]furan-2,4-dione
CID 163012608
[(4R,10Z,11aR)-4-acetyloxy-6,10-dimethyl-2-oxo-4,5,9,11a-tetrahydrocyclodeca[b]furan-3-yl]methyl acetate
CID 163188113
Methyl 5-hydroxycyclopent-1-ene-1-carboxylate
CID 11607928
4-Carboxylatomethyl-3-methylbut-2-en-1,4-olide(1-)
CID 25203332

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate?
The IUPAC name of ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate (CID 10910481) is ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate.
What is the SMILES notation for ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate?
The canonical SMILES for ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate is CCOC(=O)C1=CCC[C@@H]1OC(C)=O.
What is the InChIKey of ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate?
The InChIKey is ZRBIIJNQSLHRAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O4/c1-3-13-10(12)8-5-4-6-9(8)14-7(2)11/h5,9H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate?
ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate is sourced from PubChem (CID 10910481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).