lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide

C14H21LiO7 — CID 159552567

IUPAClithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide
SMILESCCOC(=O)C1CC=CCO1.O=C(O)C1CC=CCO1.[Li+].[OH-]
InChIInChI=1S/C8H12O3.C6H8O3.Li.H2O/c1-2-10-8(9)7-5-3-4-6-11-7;7-6(8)5-3-1-2-4-9-5;;/h3-4,7H,2,5-6H2,1H3;1-2,5H,3-4H2,(H,7,8);;1H2/q;;+1;/p-1
InChIKeyMFOPUVBCWKYSSV-UHFFFAOYSA-M
MW308.26 g/mol
LogP-1.86
Rot. Bonds3

About lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide

lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide (PubChem CID 159552567) has the molecular formula C14H21LiO7 and a molecular weight of 308.26 g/mol. Its IUPAC name is lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide
PubChem CID159552567
Molecular FormulaC14H21LiO7
Molecular Weight308.26 g/mol
Exact Mass308.14
IUPAC Namelithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide
SMILESCCOC(=O)C1CC=CCO1.O=C(O)C1CC=CCO1.[Li+].[OH-]
InChIInChI=1S/C8H12O3.C6H8O3.Li.H2O/c1-2-10-8(9)7-5-3-4-6-11-7;7-6(8)5-3-1-2-4-9-5;;/h3-4,7H,2,5-6H2,1H3;1-2,5H,3-4H2,(H,7,8);;1H2/q;;+1;/p-1
InChIKeyMFOPUVBCWKYSSV-UHFFFAOYSA-M
XLogP-1.86
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-1.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide?
The IUPAC name of lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide (CID 159552567) is lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide.
What is the SMILES notation for lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide?
The canonical SMILES for lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide is CCOC(=O)C1CC=CCO1.O=C(O)C1CC=CCO1.[Li+].[OH-].
What is the InChIKey of lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide?
The InChIKey is MFOPUVBCWKYSSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O3.C6H8O3.Li.H2O/c1-2-10-8(9)7-5-3-4-6-11-7;7-6(8)5-3-1-2-4-9-5;;/h3-4,7H,2,5-6H2,1H3;1-2,5H,3-4H2,(H,7,8);;1H2/q;;+1;/p-1.
What are the key properties of lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide?
lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide has a molecular weight of 308.26 g/mol, XLogP of -1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide is sourced from PubChem (CID 159552567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).