lithium 2-(3-methyloxetan-3-yl)acetate

C6H9LiO3 — CID 118990259

IUPAClithium 2-(3-methyloxetan-3-yl)acetate
SMILESCC1(CC(=O)[O-])COC1.[Li+]
InChIInChI=1S/C6H10O3.Li/c1-6(2-5(7)8)3-9-4-6;/h2-4H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyCQSASHCZASQRNY-UHFFFAOYSA-M
MW136.08 g/mol
LogP-3.83
Rot. Bonds2

About lithium 2-(3-methyloxetan-3-yl)acetate

lithium 2-(3-methyloxetan-3-yl)acetate (PubChem CID 118990259) has the molecular formula C6H9LiO3 and a molecular weight of 136.08 g/mol. Its IUPAC name is lithium 2-(3-methyloxetan-3-yl)acetate.

Molecular Properties

Compound Namelithium 2-(3-methyloxetan-3-yl)acetate
PubChem CID118990259
Molecular FormulaC6H9LiO3
Molecular Weight136.08 g/mol
Exact Mass136.07
IUPAC Namelithium 2-(3-methyloxetan-3-yl)acetate
SMILESCC1(CC(=O)[O-])COC1.[Li+]
InChIInChI=1S/C6H10O3.Li/c1-6(2-5(7)8)3-9-4-6;/h2-4H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyCQSASHCZASQRNY-UHFFFAOYSA-M
XLogP-3.83
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 5-3.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-(3-fluorooxetan-3-yl)acetate
CID 164886298
2-[(1S)-2,2-dibromo-1-methylcyclopropyl]acetate
CID 6984505
bis[(3-methyloxetan-3-yl)methyl] (E)-but-2-enedioate
CID 90456001
3-(2-tert-butylsulfonylethyl)-3-methyloxetane
CID 160692118
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone
CID 171937634
(3-methyloxetan-3-yl)methyl trifluoromethanesulfonate
CID 88593992
N-ethyl-N-[2-(3-methyloxetan-3-yl)ethyl]acetamide
CID 144689131
CID 87243144
CID 87243144
(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate
CID 69419737
3-methyl-3-(3-nitropropyl)oxetane
CID 163827364
2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 131154136
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323

Frequently Asked Questions

What is the IUPAC name of lithium 2-(3-methyloxetan-3-yl)acetate?
The IUPAC name of lithium 2-(3-methyloxetan-3-yl)acetate (CID 118990259) is lithium 2-(3-methyloxetan-3-yl)acetate.
What is the SMILES notation for lithium 2-(3-methyloxetan-3-yl)acetate?
The canonical SMILES for lithium 2-(3-methyloxetan-3-yl)acetate is CC1(CC(=O)[O-])COC1.[Li+].
What is the InChIKey of lithium 2-(3-methyloxetan-3-yl)acetate?
The InChIKey is CQSASHCZASQRNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O3.Li/c1-6(2-5(7)8)3-9-4-6;/h2-4H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 2-(3-methyloxetan-3-yl)acetate?
lithium 2-(3-methyloxetan-3-yl)acetate has a molecular weight of 136.08 g/mol, XLogP of -3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3-methyloxetan-3-yl)acetate is sourced from PubChem (CID 118990259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).