methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid

C6H10O5 — CID 174783551

IUPACmethanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
SMILESCO.COC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H6O4.CH4O/c1-9-5(8)3-2-4(6)7;1-2/h2-3H,1H3,(H,6,7);2H,1H3/b3-2-;
InChIKeyLLQXCWMUCBFZRG-OLGQORCHSA-N
MW162.14 g/mol
LogP-0.59
Rot. Bonds2

About methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid

methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid (PubChem CID 174783551) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Namemethanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
PubChem CID174783551
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Namemethanol;(Z)-4-methoxy-4-oxobut-2-enoic acid
SMILESCO.COC(=O)/C=C\C(=O)O
InChIInChI=1S/C5H6O4.CH4O/c1-9-5(8)3-2-4(6)7;1-2/h2-3H,1H3,(H,6,7);2H,1H3/b3-2-;
InChIKeyLLQXCWMUCBFZRG-OLGQORCHSA-N
XLogP-0.59
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
ethene;(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 87864745
CID 160615105
CID 160615105
(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
CID 174373219
(Z)-4-methoxy-4-oxobut-2-enoic acid;2-methylidenebutanedioic acid
CID 174862788
18-methoxy-4,8,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoic acid
CID 163060981
(2E,4Z,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 175795333
1-chloropentane;(E)-4-methoxy-4-oxobut-2-enoic acid
CID 174296166
(2Z,4E,6Z,8E,10Z,12E,14Z,16Z,18Z)-20-methoxy-4,8,12,16-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 92532880
methyl (E)-4-chloro-4-oxobut-2-enoate
CID 6536970
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
(2Z,4E)-3-tert-butyl-6-methoxy-6-oxohexa-2,4-dienoic acid
CID 154412923

Frequently Asked Questions

What is the IUPAC name of methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid?
The IUPAC name of methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid (CID 174783551) is methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid.
What is the SMILES notation for methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid?
The canonical SMILES for methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid is CO.COC(=O)/C=C\C(=O)O.
What is the InChIKey of methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid?
The InChIKey is LLQXCWMUCBFZRG-OLGQORCHSA-N. The full InChI is InChI=1S/C5H6O4.CH4O/c1-9-5(8)3-2-4(6)7;1-2/h2-3H,1H3,(H,6,7);2H,1H3/b3-2-;.
What are the key properties of methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid?
methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid has a molecular weight of 162.14 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(Z)-4-methoxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 174783551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).