lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane

C7H15LiO2 — CID 14789976

IUPAClithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
SMILES[CH2-]C(C)(COC)COC.[Li+]
InChIInChI=1S/C7H15O2.Li/c1-7(2,5-8-3)6-9-4;/h1,5-6H2,2-4H3;/q-1;+1
InChIKeyYMNUQYOWLBQCPA-UHFFFAOYSA-N
MW138.14 g/mol
LogP-1.88
Rot. Bonds4

About lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane

lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane (PubChem CID 14789976) has the molecular formula C7H15LiO2 and a molecular weight of 138.14 g/mol. Its IUPAC name is lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane.

Molecular Properties

Compound Namelithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
PubChem CID14789976
Molecular FormulaC7H15LiO2
Molecular Weight138.14 g/mol
Exact Mass138.12
IUPAC Namelithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
SMILES[CH2-]C(C)(COC)COC.[Li+]
InChIInChI=1S/C7H15O2.Li/c1-7(2,5-8-3)6-9-4;/h1,5-6H2,2-4H3;/q-1;+1
InChIKeyYMNUQYOWLBQCPA-UHFFFAOYSA-N
XLogP-1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-2,2-dimethylpropane
CID 160639316
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709
magnesium;1-methoxy-2,2-dimethylpropane;dichloride
CID 175512317
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine
CID 163448720
ethane;2-fluoro-1-methoxy-2-methylpropane
CID 176980153
1-methoxy-N,N,2-trimethylbutan-2-amine
CID 162379488
dilithium;2-methanidyl-2-methylpropane
CID 14120101
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
2,2,3,3-tetrafluoro-1-methoxybutane
CID 59343885
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
1-methoxy-N-(1-methoxy-2-methylpropan-2-yl)-N,2-dimethylpropan-2-amine
CID 169191834

Frequently Asked Questions

What is the IUPAC name of lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane?
The IUPAC name of lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane (CID 14789976) is lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane.
What is the SMILES notation for lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane?
The canonical SMILES for lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane is [CH2-]C(C)(COC)COC.[Li+].
What is the InChIKey of lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane?
The InChIKey is YMNUQYOWLBQCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2.Li/c1-7(2,5-8-3)6-9-4;/h1,5-6H2,2-4H3;/q-1;+1.
What are the key properties of lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane?
lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane has a molecular weight of 138.14 g/mol, XLogP of -1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane is sourced from PubChem (CID 14789976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).