ethyl 4-ethoxy-5-hydroxyhex-2-enoate

C10H18O4 — CID 74034311

IUPACethyl 4-ethoxy-5-hydroxyhex-2-enoate
SMILESCCOC(=O)C=CC(OCC)C(C)O
InChIInChI=1S/C10H18O4/c1-4-13-9(8(3)11)6-7-10(12)14-5-2/h6-9,11H,4-5H2,1-3H3
InChIKeyOVBMCAHPPLHFQD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.89
Rot. Bonds6

About ethyl 4-ethoxy-5-hydroxyhex-2-enoate

ethyl 4-ethoxy-5-hydroxyhex-2-enoate (PubChem CID 74034311) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 4-ethoxy-5-hydroxyhex-2-enoate.

Molecular Properties

Compound Nameethyl 4-ethoxy-5-hydroxyhex-2-enoate
PubChem CID74034311
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 4-ethoxy-5-hydroxyhex-2-enoate
SMILESCCOC(=O)C=CC(OCC)C(C)O
InChIInChI=1S/C10H18O4/c1-4-13-9(8(3)11)6-7-10(12)14-5-2/h6-9,11H,4-5H2,1-3H3
InChIKeyOVBMCAHPPLHFQD-UHFFFAOYSA-N
XLogP0.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Osmundalactone
CID 12374456
Osumudalactome
CID 12374457
5-(1-Hydroxyethyl)-2(5H)-furanone
CID 12374454
Pectinolide C
CID 10038670
Phomalactone
CID 6475274
Phomopsolide B
CID 6442165
Phomopsolide A
CID 6442340
Npc61718
CID 10783458
Pectinolide B
CID 10400831
[(Z,3R)-1-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-3-yl] acetate
CID 155539444
(2S,3S)-3-hydroxy-2-[(Z,3S)-3-hydroxyhept-1-enyl]-2,3-dihydropyran-6-one
CID 155539748
Botryolide E
CID 53324482

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-5-hydroxyhex-2-enoate?
The IUPAC name of ethyl 4-ethoxy-5-hydroxyhex-2-enoate (CID 74034311) is ethyl 4-ethoxy-5-hydroxyhex-2-enoate.
What is the SMILES notation for ethyl 4-ethoxy-5-hydroxyhex-2-enoate?
The canonical SMILES for ethyl 4-ethoxy-5-hydroxyhex-2-enoate is CCOC(=O)C=CC(OCC)C(C)O.
What is the InChIKey of ethyl 4-ethoxy-5-hydroxyhex-2-enoate?
The InChIKey is OVBMCAHPPLHFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-9(8(3)11)6-7-10(12)14-5-2/h6-9,11H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethoxy-5-hydroxyhex-2-enoate?
ethyl 4-ethoxy-5-hydroxyhex-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-5-hydroxyhex-2-enoate is sourced from PubChem (CID 74034311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).