lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate

C14H32AlLiO3 — CID 167563404

IUPAClithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate
SMILESC.CC1CC(CO)C1.COC(=O)C1CC(C)C1.[AlH3].[H-].[Li+]
InChIInChI=1S/C7H12O2.C6H12O.CH4.Al.Li.4H/c1-5-3-6(4-5)7(8)9-2;1-5-2-6(3-5)4-7;;;;;;;/h5-6H,3-4H2,1-2H3;5-7H,2-4H2,1H3;1H4;;;;;;/q;;;;+1;;;;-1
InChIKeyTWFOBWGQUSGWJW-UHFFFAOYSA-N
MW282.33 g/mol
LogP-1.20
Rot. Bonds2

About lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate

lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate (PubChem CID 167563404) has the molecular formula C14H32AlLiO3 and a molecular weight of 282.33 g/mol. Its IUPAC name is lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namelithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate
PubChem CID167563404
Molecular FormulaC14H32AlLiO3
Molecular Weight282.33 g/mol
Exact Mass282.23
IUPAC Namelithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate
SMILESC.CC1CC(CO)C1.COC(=O)C1CC(C)C1.[AlH3].[H-].[Li+]
InChIInChI=1S/C7H12O2.C6H12O.CH4.Al.Li.4H/c1-5-3-6(4-5)7(8)9-2;1-5-2-6(3-5)4-7;;;;;;;/h5-6H,3-4H2,1-2H3;5-7H,2-4H2,1H3;1H4;;;;;;/q;;;;+1;;;;-1
InChIKeyTWFOBWGQUSGWJW-UHFFFAOYSA-N
XLogP-1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
[4-(ethylsulfonylmethyl)cyclohexyl]methanol;methane;methyl 4-(ethylsulfonylmethyl)cyclohexane-1-carboxylate
CID 167579871
methane;3-methylcyclohexane-1-carboxylic acid;methyl 3-methylcyclohexane-1-carboxylate
CID 165044435
[(1R,3R,5R)-3-ethyl-5-methylcyclohexyl]methanol
CID 14940084
cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
CID 162089386
methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
methyl 3,4,5-trimethoxycyclohexane-1-carboxylate
CID 121285425
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
3-methoxycarbonylcyclohexane-1-carboxylic acid;methyl 3-formylcyclohexane-1-carboxylate;methyl 3-(hydroxymethyl)cyclohexane-1-carboxylate
CID 161009973

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate?
The IUPAC name of lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate (CID 167563404) is lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate?
The canonical SMILES for lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate is C.CC1CC(CO)C1.COC(=O)C1CC(C)C1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate?
The InChIKey is TWFOBWGQUSGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C6H12O.CH4.Al.Li.4H/c1-5-3-6(4-5)7(8)9-2;1-5-2-6(3-5)4-7;;;;;;;/h5-6H,3-4H2,1-2H3;5-7H,2-4H2,1H3;1H4;;;;;;/q;;;;+1;;;;-1.
What are the key properties of lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate?
lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate has a molecular weight of 282.33 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;hydride;methane;(3-methylcyclobutyl)methanol;methyl 3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 167563404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).