2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate

C14H26O5 — CID 134896288

IUPAC2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate
SMILESCCC/C=C/COC(C(=O)OCCOC)C(O)CC
InChIInChI=1S/C14H26O5/c1-4-6-7-8-9-18-13(12(15)5-2)14(16)19-11-10-17-3/h7-8,12-13,15H,4-6,9-11H2,1-3H3/b8-7+
InChIKeyJMVQTLNISBRISL-BQYQJAHWSA-N
MW274.36 g/mol
LogP1.69
Rot. Bonds11

About 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate

2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate (PubChem CID 134896288) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate
PubChem CID134896288
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate
SMILESCCC/C=C/COC(C(=O)OCCOC)C(O)CC
InChIInChI=1S/C14H26O5/c1-4-6-7-8-9-18-13(12(15)5-2)14(16)19-11-10-17-3/h7-8,12-13,15H,4-6,9-11H2,1-3H3/b8-7+
InChIKeyJMVQTLNISBRISL-BQYQJAHWSA-N
XLogP1.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-oct-2-enyl] 2-hydroxybutanoate
CID 71450082
[(E)-oct-2-enyl] (2S)-2-hydroxybutanoate
CID 71457231
[(Z)-oct-2-enyl] 2-hydroxybutanoate
CID 71457232
8Alpha-Acetoxymultiplolide A
CID 24862056
7Alpha-Acetoxymultiplolide A
CID 24850147
Multiplolide A
CID 24879663
Gsxxkilaeilyrx-oisazyhwsa-
CID 10353178
(1S,5S,9E,11S,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo(9.3.1)pentadeca-9,12-dien-3-one
CID 24766620
6,7-Dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
CID 74342909
14-Hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one
CID 162870168
(1R,4R,6R,7R,8E,10R)-6,7-dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
CID 162895535
(1S,4R,6R,7R,8E,10S)-6,7-dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
CID 162895538

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate?
The IUPAC name of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate (CID 134896288) is 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate.
What is the SMILES notation for 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate?
The canonical SMILES for 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate is CCC/C=C/COC(C(=O)OCCOC)C(O)CC.
What is the InChIKey of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate?
The InChIKey is JMVQTLNISBRISL-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H26O5/c1-4-6-7-8-9-18-13(12(15)5-2)14(16)19-11-10-17-3/h7-8,12-13,15H,4-6,9-11H2,1-3H3/b8-7+.
What are the key properties of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate?
2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate has a molecular weight of 274.36 g/mol, XLogP of 1.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxypentanoate is sourced from PubChem (CID 134896288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).