lithium 2-methylpentan-1-olate

C6H13LiO — CID 87387163

IUPAClithium 2-methylpentan-1-olate
SMILESCCCC(C)C[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-3-4-6(2)5-7;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyRUQWYEKKZBCHMN-UHFFFAOYSA-N
MW108.11 g/mol
LogP-2.21
Rot. Bonds3

About lithium 2-methylpentan-1-olate

lithium 2-methylpentan-1-olate (PubChem CID 87387163) has the molecular formula C6H13LiO and a molecular weight of 108.11 g/mol. Its IUPAC name is lithium 2-methylpentan-1-olate.

Molecular Properties

Compound Namelithium 2-methylpentan-1-olate
PubChem CID87387163
Molecular FormulaC6H13LiO
Molecular Weight108.11 g/mol
Exact Mass108.11
IUPAC Namelithium 2-methylpentan-1-olate
SMILESCCCC(C)C[O-].[Li+]
InChIInChI=1S/C6H13O.Li/c1-3-4-6(2)5-7;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyRUQWYEKKZBCHMN-UHFFFAOYSA-N
XLogP-2.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptane;propane
CID 142171269
(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine
CID 102003612
acetylene;4-methylheptane
CID 143164229
sodium 2-methylbutan-1-olate
CID 23683800
tetrakis(2-methylbutan-1-olate);titanium(4+)
CID 22496767
4-methylheptane;pentane
CID 142501546
(3R,6R)-3,6-dimethylnonane
CID 170848352
1-ethylsulfonyl-3-methylhexane
CID 150377536
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
5-methyl-3-propan-2-yloct-2-ene
CID 123290549

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylpentan-1-olate?
The IUPAC name of lithium 2-methylpentan-1-olate (CID 87387163) is lithium 2-methylpentan-1-olate.
What is the SMILES notation for lithium 2-methylpentan-1-olate?
The canonical SMILES for lithium 2-methylpentan-1-olate is CCCC(C)C[O-].[Li+].
What is the InChIKey of lithium 2-methylpentan-1-olate?
The InChIKey is RUQWYEKKZBCHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Li/c1-3-4-6(2)5-7;/h6H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of lithium 2-methylpentan-1-olate?
lithium 2-methylpentan-1-olate has a molecular weight of 108.11 g/mol, XLogP of -2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpentan-1-olate is sourced from PubChem (CID 87387163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).