lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide

C8H16AlLiO — CID 135050678

IUPAClithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide
SMILESC[Al-](C)(C)C1=CCCCO1.[Li+]
InChIInChI=1S/C5H7O.3CH3.Al.Li/c1-2-4-6-5-3-1;;;;;/h2H,1,3,5H2;3*1H3;;/q;;;;-1;+1
InChIKeyJHJOOSGIMJRHRP-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.44
Rot. Bonds1

About lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide

lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide (PubChem CID 135050678) has the molecular formula C8H16AlLiO and a molecular weight of 162.14 g/mol. Its IUPAC name is lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide.

Molecular Properties

Compound Namelithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide
PubChem CID135050678
Molecular FormulaC8H16AlLiO
Molecular Weight162.14 g/mol
Exact Mass162.12
IUPAC Namelithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide
SMILESC[Al-](C)(C)C1=CCCCO1.[Li+]
InChIInChI=1S/C5H7O.3CH3.Al.Li/c1-2-4-6-5-3-1;;;;;/h2H,1,3,5H2;3*1H3;;/q;;;;-1;+1
InChIKeyJHJOOSGIMJRHRP-UHFFFAOYSA-N
XLogP-0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide 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

sodium 3,4-dihydro-2H-pyran-6-yl-dimethyl-oxidosilane
CID 71306630
7-methyl-2,3,4,5-tetrahydrooxepine
CID 142050874
3,4-dihydro-2H-pyran-6-ylmethylidene(methyl)oxidanium
CID 11529801
6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran
CID 24744561
1-(3,4-dihydro-2H-pyran-6-yl)ethenol
CID 101235148
1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol
CID 130670916
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 102647624
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
potassium;3,4-dihydro-2H-pyran-6-ylmethyl(methyl)azanide;ethane
CID 142256399
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
CID 102646549
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873

Frequently Asked Questions

What is the IUPAC name of lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide?
The IUPAC name of lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide (CID 135050678) is lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide.
What is the SMILES notation for lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide?
The canonical SMILES for lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide is C[Al-](C)(C)C1=CCCCO1.[Li+].
What is the InChIKey of lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide?
The InChIKey is JHJOOSGIMJRHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O.3CH3.Al.Li/c1-2-4-6-5-3-1;;;;;/h2H,1,3,5H2;3*1H3;;/q;;;;-1;+1.
What are the key properties of lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide?
lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide has a molecular weight of 162.14 g/mol, XLogP of -0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,4-dihydro-2H-pyran-6-yl(trimethyl)alumanuide is sourced from PubChem (CID 135050678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).