lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate

C10H13LiO5 — CID 121452919

IUPAClithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate
SMILESC=C(C)C(=O)OCCOC(=O)C=C(C)[O-].[Li+]
InChIInChI=1S/C10H14O5.Li/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;/h6,11H,1,4-5H2,2-3H3;/q;+1/p-1
InChIKeyFCIVVGXHNNXWPF-UHFFFAOYSA-M
MW220.15 g/mol
LogP-3.08
Rot. Bonds5

About lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate

lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate (PubChem CID 121452919) has the molecular formula C10H13LiO5 and a molecular weight of 220.15 g/mol. Its IUPAC name is lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate.

Molecular Properties

Compound Namelithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate
PubChem CID121452919
Molecular FormulaC10H13LiO5
Molecular Weight220.15 g/mol
Exact Mass220.09
IUPAC Namelithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate
SMILESC=C(C)C(=O)OCCOC(=O)C=C(C)[O-].[Li+]
InChIInChI=1S/C10H14O5.Li/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;/h6,11H,1,4-5H2,2-3H3;/q;+1/p-1
InChIKeyFCIVVGXHNNXWPF-UHFFFAOYSA-M
XLogP-3.08
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 5-3.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547

Frequently Asked Questions

What is the IUPAC name of lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate?
The IUPAC name of lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate (CID 121452919) is lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate.
What is the SMILES notation for lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate?
The canonical SMILES for lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate is C=C(C)C(=O)OCCOC(=O)C=C(C)[O-].[Li+].
What is the InChIKey of lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate?
The InChIKey is FCIVVGXHNNXWPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O5.Li/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;/h6,11H,1,4-5H2,2-3H3;/q;+1/p-1.
What are the key properties of lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate?
lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate has a molecular weight of 220.15 g/mol, XLogP of -3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-en-2-olate is sourced from PubChem (CID 121452919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).