ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate

C11H14O4 — CID 72735656

IUPACethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate
SMILESCCOC(=O)/C=C\OC1=CC(=O)CCC1
InChIInChI=1S/C11H14O4/c1-2-14-11(13)6-7-15-10-5-3-4-9(12)8-10/h6-8H,2-5H2,1H3/b7-6-
InChIKeyKYDNXYLRVGEMCP-SREVYHEPSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds4

About ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate

ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate (PubChem CID 72735656) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate
PubChem CID72735656
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate
SMILESCCOC(=O)/C=C\OC1=CC(=O)CCC1
InChIInChI=1S/C11H14O4/c1-2-14-11(13)6-7-15-10-5-3-4-9(12)8-10/h6-8H,2-5H2,1H3/b7-6-
InChIKeyKYDNXYLRVGEMCP-SREVYHEPSA-N
XLogP1.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Acetoxy-2-cyclohexen-1-one
CID 2755443
Propionic acid 3-oxo-cyclohex-1-enyl ester
CID 12049552
Viridepyronone
CID 11458032
4-Methoxy-6-methyl-5-(3-oxobutyl)-2h-pyran-2-one
CID 102367320
[(1R)-4-oxocyclohex-2-en-1-yl] acetate
CID 14228026
4-Oxocyclohex-2-en-1-yl acetate
CID 14228028
[(1S)-4-oxocyclohex-2-en-1-yl] acetate
CID 14228027
[(Z)-[4-(2-methylpropoxy)-2-oxocyclohex-3-en-1-ylidene]methyl] prop-2-enyl carbonate
CID 44127225
4-Methoxy-6-pentanoylpyran-2-one
CID 102306810
ethyl (E)-3-[(6-oxocyclohexen-1-yl)methoxy]prop-2-enoate
CID 138985037
Fvxfgbpfnvixlw-uhfffaoysa-
CID 15765571
3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)propyl propanoate
CID 21601690

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate (CID 72735656) is ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate is CCOC(=O)/C=C\OC1=CC(=O)CCC1.
What is the InChIKey of ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate?
The InChIKey is KYDNXYLRVGEMCP-SREVYHEPSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-11(13)6-7-15-10-5-3-4-9(12)8-10/h6-8H,2-5H2,1H3/b7-6-.
What are the key properties of ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate?
ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate has a molecular weight of 210.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate is sourced from PubChem (CID 72735656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).