dilithium;2-(2-methylprop-2-enoyloxy)butanedioate

C8H8Li2O6 — CID 122611626

IUPACdilithium;2-(2-methylprop-2-enoyloxy)butanedioate
SMILESC=C(C)C(=O)OC(CC(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C8H10O6.2Li/c1-4(2)8(13)14-5(7(11)12)3-6(9)10;;/h5H,1,3H2,2H3,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyYVUHPTZZDSJHIF-UHFFFAOYSA-L
MW214.03 g/mol
LogP-8.63
Rot. Bonds5

About dilithium;2-(2-methylprop-2-enoyloxy)butanedioate

dilithium;2-(2-methylprop-2-enoyloxy)butanedioate (PubChem CID 122611626) has the molecular formula C8H8Li2O6 and a molecular weight of 214.03 g/mol. Its IUPAC name is dilithium;2-(2-methylprop-2-enoyloxy)butanedioate.

Molecular Properties

Compound Namedilithium;2-(2-methylprop-2-enoyloxy)butanedioate
PubChem CID122611626
Molecular FormulaC8H8Li2O6
Molecular Weight214.03 g/mol
Exact Mass214.06
IUPAC Namedilithium;2-(2-methylprop-2-enoyloxy)butanedioate
SMILESC=C(C)C(=O)OC(CC(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C8H10O6.2Li/c1-4(2)8(13)14-5(7(11)12)3-6(9)10;;/h5H,1,3H2,2H3,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyYVUHPTZZDSJHIF-UHFFFAOYSA-L
XLogP-8.63
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 5-8.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)-4-oxopentanoic acid
CID 174633103
3-chloro-2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174387747
lithium 2-(2-methylprop-2-enoyloxy)propane-1-sulfonate
CID 122610801
dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate
CID 89116228
propan-2-yl 2-methylprop-2-enoate
CID 146421311
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
CID 23178940
2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid
CID 174585255
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
diaminomethyl 2-methylprop-2-enoate
CID 18522879

Frequently Asked Questions

What is the IUPAC name of dilithium;2-(2-methylprop-2-enoyloxy)butanedioate?
The IUPAC name of dilithium;2-(2-methylprop-2-enoyloxy)butanedioate (CID 122611626) is dilithium;2-(2-methylprop-2-enoyloxy)butanedioate.
What is the SMILES notation for dilithium;2-(2-methylprop-2-enoyloxy)butanedioate?
The canonical SMILES for dilithium;2-(2-methylprop-2-enoyloxy)butanedioate is C=C(C)C(=O)OC(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-(2-methylprop-2-enoyloxy)butanedioate?
The InChIKey is YVUHPTZZDSJHIF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O6.2Li/c1-4(2)8(13)14-5(7(11)12)3-6(9)10;;/h5H,1,3H2,2H3,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of dilithium;2-(2-methylprop-2-enoyloxy)butanedioate?
dilithium;2-(2-methylprop-2-enoyloxy)butanedioate has a molecular weight of 214.03 g/mol, XLogP of -8.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-(2-methylprop-2-enoyloxy)butanedioate is sourced from PubChem (CID 122611626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).