lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate

C10H15LiO4 — CID 134895177

IUPAClithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate
SMILESCC1CCOC1([O-])C1(C)CCOC1=O.[Li+]
InChIInChI=1S/C10H15O4.Li/c1-7-3-5-14-10(7,12)9(2)4-6-13-8(9)11;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyFQPMEEFXWGQPTG-UHFFFAOYSA-N
MW206.17 g/mol
LogP-2.94
Rot. Bonds1

About lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate

lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate (PubChem CID 134895177) has the molecular formula C10H15LiO4 and a molecular weight of 206.17 g/mol. Its IUPAC name is lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate.

Molecular Properties

Compound Namelithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate
PubChem CID134895177
Molecular FormulaC10H15LiO4
Molecular Weight206.17 g/mol
Exact Mass206.11
IUPAC Namelithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate
SMILESCC1CCOC1([O-])C1(C)CCOC1=O.[Li+]
InChIInChI=1S/C10H15O4.Li/c1-7-3-5-14-10(7,12)9(2)4-6-13-8(9)11;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyFQPMEEFXWGQPTG-UHFFFAOYSA-N
XLogP-2.94
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Oxolan-2-yl)oxolan-2-one
CID 12345289
(Tetrahydro-2-methyl-2-furyl)-succinic anhydride
CID 129680834
alpha-(2-Hydroxy-tetrahydrofuran-2-yl)-gamma-butyrolactone
CID 129733826
alpha-(2-Hydroxy-tetrahydrofuran-2-yl)-alpha-acetyl-gamma-butyrolactone
CID 129733827
methyl (3aS,6aR)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
CID 11564666
3-(1-Hydroperoxy-2-methylbutyl)-3-methyloxolan-2-one
CID 20580301
[4-Oxo-2-(5-oxooxolan-3-yl)oxolan-2-yl] 2,2-dimethylbutanoate
CID 23561963
1-Methoxy-5-methoxycarbonyl-2-oxabicyclo[3.3.0]octane
CID 45091656
methyl (3aR,6aS)-6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
CID 59847182
ethyl 6a-methoxy-hexahydro-2H-cyclopenta[b]furan-3a-carboxylate
CID 69010634
methyl 6a-ethoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
CID 69012596
methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
CID 69075549

Frequently Asked Questions

What is the IUPAC name of lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate?
The IUPAC name of lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate (CID 134895177) is lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate.
What is the SMILES notation for lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate?
The canonical SMILES for lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate is CC1CCOC1([O-])C1(C)CCOC1=O.[Li+].
What is the InChIKey of lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate?
The InChIKey is FQPMEEFXWGQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4.Li/c1-7-3-5-14-10(7,12)9(2)4-6-13-8(9)11;/h7H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate?
lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate has a molecular weight of 206.17 g/mol, XLogP of -2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methyl-2-(3-methyl-2-oxooxolan-3-yl)oxolan-2-olate is sourced from PubChem (CID 134895177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).