(2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid

C10H16O5 — CID 59875775

IUPAC(2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)C(OCC)C(=O)OC
InChIInChI=1S/C10H16O5/c1-4-6-7(9(11)12)8(15-5-2)10(13)14-3/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyJWAFRYNWIDHMRI-GVHYBUMESA-N
MW216.23 g/mol
LogP0.84
Rot. Bonds7

About (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid

(2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid (PubChem CID 59875775) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid
PubChem CID59875775
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)C(OCC)C(=O)OC
InChIInChI=1S/C10H16O5/c1-4-6-7(9(11)12)8(15-5-2)10(13)14-3/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyJWAFRYNWIDHMRI-GVHYBUMESA-N
XLogP0.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.84
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

(2R,3S)-2-hydroxy-3-prop-2-enylbutanedioic acid
CID 44423276
diethyl (2S,3R)-2-hydroxy-3-prop-2-enylbutanedioate
CID 12567690
(2S)-3-Allyl-2-hydroxysuccinic acid diethyl ester
CID 132969546
(2s,3r)-3-Allyl-3-methylmalic acid-4-ethylester
CID 13739038
dimethyl (2S,3R)-2-hydroxy-3-prop-2-enylbutanedioate
CID 11715383
(4S)-4-[(1R)-1-carboxy-but-3-enyl]-2,2-dimethyl-1,3-dioxolan-5-one
CID 59875758
(2S,3R)-2-hydroxy-3-prop-2-enylbutanedioic acid
CID 59875812
2-Allyl-3-hydroxy-2-methylsuccinic acid, 1-ethyl ester
CID 535182
Diethyl 2-hydroxy-2-(1-oxopent-4-en-2-yl)propanedioate
CID 11334400
dimethyl (2S,3R)-2-prop-2-enoxy-3-prop-2-enylbutanedioate
CID 11528852
(2S,3S)-3-ethoxycarbonyl-2-hydroxy-3-methylhex-5-enoic acid
CID 177842905
Dimethyl 2-allyl-3-hydroxy-2-methylsuccinate
CID 566421

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid?
The IUPAC name of (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid (CID 59875775) is (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid.
What is the SMILES notation for (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid?
The canonical SMILES for (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid is C=CC[C@@H](C(=O)O)C(OCC)C(=O)OC.
What is the InChIKey of (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid?
The InChIKey is JWAFRYNWIDHMRI-GVHYBUMESA-N. The full InChI is InChI=1S/C10H16O5/c1-4-6-7(9(11)12)8(15-5-2)10(13)14-3/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid?
(2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid has a molecular weight of 216.23 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethoxy-2-methoxy-2-oxoethyl)pent-4-enoic acid is sourced from PubChem (CID 59875775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).