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

C11H20O4 — CID 15892946

IUPACmethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate
SMILESCCC/C=C/COC(C(=O)OC)C(C)O
InChIInChI=1S/C11H20O4/c1-4-5-6-7-8-15-10(9(2)12)11(13)14-3/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6+
InChIKeyVVZCLRXJKVDNQY-VOTSOKGWSA-N
MW216.28 g/mol
LogP1.28
Rot. Bonds7

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

methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate (PubChem CID 15892946) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate
PubChem CID15892946
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate
SMILESCCC/C=C/COC(C(=O)OC)C(C)O
InChIInChI=1S/C11H20O4/c1-4-5-6-7-8-15-10(9(2)12)11(13)14-3/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6+
InChIKeyVVZCLRXJKVDNQY-VOTSOKGWSA-N
XLogP1.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
The IUPAC name of methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate (CID 15892946) is methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate.
What is the SMILES notation for methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
The canonical SMILES for methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate is CCC/C=C/COC(C(=O)OC)C(C)O.
What is the InChIKey of methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
The InChIKey is VVZCLRXJKVDNQY-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-5-6-7-8-15-10(9(2)12)11(13)14-3/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate?
methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate has a molecular weight of 216.28 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-hex-2-enoxy]-3-hydroxybutanoate is sourced from PubChem (CID 15892946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).