ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate

C12H22O3 — CID 56650479

IUPACethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate
SMILESCCCCC/C=C(\C(=O)OCC)C(C)O
InChIInChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h9-10,13H,4-8H2,1-3H3/b11-9-
InChIKeyGXTGIGALUSIKTE-LUAWRHEFSA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds7

About ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate

ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate (PubChem CID 56650479) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate
PubChem CID56650479
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate
SMILESCCCCC/C=C(\C(=O)OCC)C(C)O
InChIInChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h9-10,13H,4-8H2,1-3H3/b11-9-
InChIKeyGXTGIGALUSIKTE-LUAWRHEFSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-pentan-2-yloct-2-enoate
CID 54443935
diethyl (2E)-2-heptylidene-4-methylpentanedioate
CID 15370227
ethyl (Z)-2-fluorooct-2-enoate
CID 10867106
ethyl (Z)-2-fluorohexadec-2-enoate
CID 89415305
diethyl 2-acetyl-4-heptylidenepentanedioate
CID 71411269
ethyl 2-ethylidene-3-methylheptanoate
CID 86741679
methyl 2-(1-hydroxy-2-oxopropyl)dodec-2-enoate
CID 72952508
methyl 2-(1-hydroxy-2-oxopropyl)heptacos-2-enoate
CID 75068995
methyl (E)-2-[(1S)-1-hydroxy-2-oxopropyl]heptacos-2-enoate
CID 162998693
2-hydroxypropyl 2-methylpentadec-2-enoate
CID 57297679
1-O-ethyl 1-O,2-O-dimethyl (Z)-hept-2-ene-1,1,2-tricarboxylate
CID 15211626
ethyl 2-acetylhept-2-enoate
CID 72741409

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate?
The IUPAC name of ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate (CID 56650479) is ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate?
The canonical SMILES for ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate is CCCCC/C=C(\C(=O)OCC)C(C)O.
What is the InChIKey of ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate?
The InChIKey is GXTGIGALUSIKTE-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h9-10,13H,4-8H2,1-3H3/b11-9-.
What are the key properties of ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate?
ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate has a molecular weight of 214.30 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(1-hydroxyethyl)oct-2-enoate is sourced from PubChem (CID 56650479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).