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

C13H24O5 — CID 134896225

IUPAC2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate
SMILESCCC/C=C/COC(C(=O)OCCOC)C(C)O
InChIInChI=1S/C13H24O5/c1-4-5-6-7-8-17-12(11(2)14)13(15)18-10-9-16-3/h6-7,11-12,14H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyJJJCPPFPNOINPN-VOTSOKGWSA-N
MW260.33 g/mol
LogP1.30
Rot. Bonds10

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

2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate (PubChem CID 134896225) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate
PubChem CID134896225
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate
SMILESCCC/C=C/COC(C(=O)OCCOC)C(C)O
InChIInChI=1S/C13H24O5/c1-4-5-6-7-8-17-12(11(2)14)13(15)18-10-9-16-3/h6-7,11-12,14H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyJJJCPPFPNOINPN-VOTSOKGWSA-N
XLogP1.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.30
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

2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanedioic acid
CID 22404047
[(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
CID 10449039
CID 10449039
(E)-hex-2-enyl lactate
CID 6366079
Macrosphelide B
CID 9798010
(4R,7E,10S,13E,15R,16S)-15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 10336485
Gsxxkilaeilyrx-oisazyhwsa-
CID 10353178

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
The IUPAC name of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate (CID 134896225) is 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate.
What is the SMILES notation for 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
The canonical SMILES for 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate is CCC/C=C/COC(C(=O)OCCOC)C(C)O.
What is the InChIKey of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
The InChIKey is JJJCPPFPNOINPN-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H24O5/c1-4-5-6-7-8-17-12(11(2)14)13(15)18-10-9-16-3/h6-7,11-12,14H,4-5,8-10H2,1-3H3/b7-6+.
What are the key properties of 2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
2-methoxyethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate has a molecular weight of 260.33 g/mol, XLogP of 1.30, 10 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-hydroxybutanoate is sourced from PubChem (CID 134896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).