methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate

C11H20O4 — CID 5366376

IUPACmethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate
SMILESCCOC(C)OC(C)C/C=C/C(=O)OC
InChIInChI=1S/C11H20O4/c1-5-14-10(3)15-9(2)7-6-8-11(12)13-4/h6,8-10H,5,7H2,1-4H3/b8-6+
InChIKeyKLJDUJMPSBUHIJ-SOFGYWHQSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds7

About methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate

methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate (PubChem CID 5366376) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate
PubChem CID5366376
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (E)-5-(1-ethoxyethoxy)hex-2-enoate
SMILESCCOC(C)OC(C)C/C=C/C(=O)OC
InChIInChI=1S/C11H20O4/c1-5-14-10(3)15-9(2)7-6-8-11(12)13-4/h6,8-10H,5,7H2,1-4H3/b8-6+
InChIKeyKLJDUJMPSBUHIJ-SOFGYWHQSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Homaxinolide C
CID 11301115
Homaxinolide B
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Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 53323131
(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one
CID 162968648
(5R)-5-methoxy-5-tetradeca-2,5,8,11-tetraenylfuran-2-one
CID 162968649
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
Ethyl (R)-(-)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 7269394
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 10921229
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
The IUPAC name of methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate (CID 5366376) is methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate.
What is the SMILES notation for methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
The canonical SMILES for methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate is CCOC(C)OC(C)C/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
The InChIKey is KLJDUJMPSBUHIJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-14-10(3)15-9(2)7-6-8-11(12)13-4/h6,8-10H,5,7H2,1-4H3/b8-6+.
What are the key properties of methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate?
methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-(1-ethoxyethoxy)hex-2-enoate is sourced from PubChem (CID 5366376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).