ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate

C11H18O4 — CID 11961882

IUPACethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate
SMILESC=CCOC(C(=O)OCC)C(O)/C=C/C
InChIInChI=1S/C11H18O4/c1-4-7-9(12)10(15-8-5-2)11(13)14-6-3/h4-5,7,9-10,12H,2,6,8H2,1,3H3/b7-4+
InChIKeyCKQBRDMPFRJOJA-QPJJXVBHSA-N
MW214.26 g/mol
LogP1.06
Rot. Bonds7

About ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate

ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate (PubChem CID 11961882) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate.

Molecular Properties

Compound Nameethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate
PubChem CID11961882
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate
SMILESC=CCOC(C(=O)OCC)C(O)/C=C/C
InChIInChI=1S/C11H18O4/c1-4-7-9(12)10(15-8-5-2)11(13)14-6-3/h4-5,7,9-10,12H,2,6,8H2,1,3H3/b7-4+
InChIKeyCKQBRDMPFRJOJA-QPJJXVBHSA-N
XLogP1.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate?
The IUPAC name of ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate (CID 11961882) is ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate.
What is the SMILES notation for ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate?
The canonical SMILES for ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate is C=CCOC(C(=O)OCC)C(O)/C=C/C.
What is the InChIKey of ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate?
The InChIKey is CKQBRDMPFRJOJA-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-7-9(12)10(15-8-5-2)11(13)14-6-3/h4-5,7,9-10,12H,2,6,8H2,1,3H3/b7-4+.
What are the key properties of ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate?
ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-hydroxy-2-prop-2-enoxyhex-4-enoate is sourced from PubChem (CID 11961882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).