2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate

C13H22O6 — CID 159788085

IUPAC2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate
SMILESC=CC(=O)C(COC(=O)C(=C)C)OC.COCCO
InChIInChI=1S/C10H14O4.C3H8O2/c1-5-8(11)9(13-4)6-14-10(12)7(2)3;1-5-3-2-4/h5,9H,1-2,6H2,3-4H3;4H,2-3H2,1H3
InChIKeyNIFGBWQSQKASSJ-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.50
Rot. Bonds8

About 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate

2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate (PubChem CID 159788085) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate
PubChem CID159788085
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate
SMILESC=CC(=O)C(COC(=O)C(=C)C)OC.COCCO
InChIInChI=1S/C10H14O4.C3H8O2/c1-5-8(11)9(13-4)6-14-10(12)7(2)3;1-5-3-2-4/h5,9H,1-2,6H2,3-4H3;4H,2-3H2,1H3
InChIKeyNIFGBWQSQKASSJ-UHFFFAOYSA-N
XLogP0.50
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate
CID 57723946
ethyl (2R,3S)-3-hydroxy-2-prop-2-enoxypent-4-enoate
CID 57723967
2-Allyloxy-3-hydroxypent-4-enoic acid ethyl ester
CID 10465389
(1-Hydroxy-3-oxobutan-2-yl) 2-methylprop-2-enoate
CID 21571630
[2-(2-Methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
CID 22184325
(1-Hydroxy-4-methyl-3-oxopent-4-en-2-yl) 4-hydroxy-2-methylidenebutanoate
CID 57260596
(1-Hydroxy-4-methyl-3-oxopent-4-en-2-yl) 2-methylprop-2-enoate
CID 57661256
[2-Hydroxy-2-(3-methyl-2-oxobut-3-enoxy)ethyl] prop-2-enoate
CID 57676322
2-(2-Methylprop-2-enoyloxy)but-3-enoic acid
CID 87073941
4-Hydroxyhex-1-en-3-yl 2-methylprop-2-enoate
CID 87364325
ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate
CID 87595443
ethyl (2S,3S)-3-hydroxy-2-prop-2-enoxypent-4-enoate
CID 87596712

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate?
The IUPAC name of 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate (CID 159788085) is 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate?
The canonical SMILES for 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate is C=CC(=O)C(COC(=O)C(=C)C)OC.COCCO.
What is the InChIKey of 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate?
The InChIKey is NIFGBWQSQKASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C3H8O2/c1-5-8(11)9(13-4)6-14-10(12)7(2)3;1-5-3-2-4/h5,9H,1-2,6H2,3-4H3;4H,2-3H2,1H3.
What are the key properties of 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate?
2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate has a molecular weight of 274.31 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 159788085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).