ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate

C10H16O5 — CID 134896966

IUPACethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate
SMILESC/C=C/[C@@H](OC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-7-8(9(11)13-5-2)15-10(12)14-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+/t8-/m1/s1
InChIKeyRYEKKEMZYLSSCX-RXLGXGPVSA-N
MW216.23 g/mol
LogP1.67
Rot. Bonds5

About ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate

ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate (PubChem CID 134896966) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate.

Molecular Properties

Compound Nameethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate
PubChem CID134896966
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nameethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate
SMILESC/C=C/[C@@H](OC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-7-8(9(11)13-5-2)15-10(12)14-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+/t8-/m1/s1
InChIKeyRYEKKEMZYLSSCX-RXLGXGPVSA-N
XLogP1.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl 2,5-dihydro-2,5-dimethoxy-2-furancarboxylate
CID 2723832
Methyl 2,5-dihydrofuran-2-carboxylate
CID 12634722
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 53323131
2,6-Dimethyl-4-oxo-3,5-dioxa-heptanedioic acid diallyl ester
CID 251832
ethyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 11735582
Isopropylidene-2,2-bis-(methoxy)propionic anhydride
CID 87216214
Ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 557312
2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, methyl ester
CID 557266
Ethyl 6-butoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 593200
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 135315549
methyl (2S,6S)-2-ethyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10511355
methyl (2S,6R)-2-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10820815

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate?
The IUPAC name of ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate (CID 134896966) is ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate.
What is the SMILES notation for ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate?
The canonical SMILES for ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate is C/C=C/[C@@H](OC(=O)OCC)C(=O)OCC.
What is the InChIKey of ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate?
The InChIKey is RYEKKEMZYLSSCX-RXLGXGPVSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-7-8(9(11)13-5-2)15-10(12)14-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+/t8-/m1/s1.
What are the key properties of ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate?
ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate has a molecular weight of 216.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2R)-2-ethoxycarbonyloxypent-3-enoate is sourced from PubChem (CID 134896966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).