alumane;2-methylpropanoic acid

C4H11AlO2 — CID 173068323

IUPACalumane;2-methylpropanoic acid
SMILESCC(C)C(=O)O.[AlH3]
InChIInChI=1S/C4H8O2.Al.3H/c1-3(2)4(5)6;;;;/h3H,1-2H3,(H,5,6);;;;
InChIKeyPTMVAKUHWHNXTA-UHFFFAOYSA-N
MW118.11 g/mol
LogP-0.46
Rot. Bonds1

About alumane;2-methylpropanoic acid

alumane;2-methylpropanoic acid (PubChem CID 173068323) has the molecular formula C4H11AlO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is alumane;2-methylpropanoic acid.

Molecular Properties

Compound Namealumane;2-methylpropanoic acid
PubChem CID173068323
Molecular FormulaC4H11AlO2
Molecular Weight118.11 g/mol
Exact Mass118.06
IUPAC Namealumane;2-methylpropanoic acid
SMILESCC(C)C(=O)O.[AlH3]
InChIInChI=1S/C4H8O2.Al.3H/c1-3(2)4(5)6;;;;/h3H,1-2H3,(H,5,6);;;;
InChIKeyPTMVAKUHWHNXTA-UHFFFAOYSA-N
XLogP-0.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390
2-methylpropanoic acid;triiodovanadium
CID 158772262
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
cyanamide;2-methylpropanoic acid
CID 172748410

Frequently Asked Questions

What is the IUPAC name of alumane;2-methylpropanoic acid?
The IUPAC name of alumane;2-methylpropanoic acid (CID 173068323) is alumane;2-methylpropanoic acid.
What is the SMILES notation for alumane;2-methylpropanoic acid?
The canonical SMILES for alumane;2-methylpropanoic acid is CC(C)C(=O)O.[AlH3].
What is the InChIKey of alumane;2-methylpropanoic acid?
The InChIKey is PTMVAKUHWHNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Al.3H/c1-3(2)4(5)6;;;;/h3H,1-2H3,(H,5,6);;;;.
What are the key properties of alumane;2-methylpropanoic acid?
alumane;2-methylpropanoic acid has a molecular weight of 118.11 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-methylpropanoic acid is sourced from PubChem (CID 173068323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).