acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid

C10H23AlO4 — CID 175060887

IUPACacetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
SMILESCC(=O)O.CC(C)C(C(=O)O)C(C)C.[AlH3]
InChIInChI=1S/C8H16O2.C2H4O2.Al.3H/c1-5(2)7(6(3)4)8(9)10;1-2(3)4;;;;/h5-7H,1-4H3,(H,9,10);1H3,(H,3,4);;;;
InChIKeyJNQILRIFELGEKQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP0.91
Rot. Bonds3

About acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid

acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid (PubChem CID 175060887) has the molecular formula C10H23AlO4 and a molecular weight of 234.27 g/mol. Its IUPAC name is acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Nameacetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
PubChem CID175060887
Molecular FormulaC10H23AlO4
Molecular Weight234.27 g/mol
Exact Mass234.14
IUPAC Nameacetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
SMILESCC(=O)O.CC(C)C(C(=O)O)C(C)C.[AlH3]
InChIInChI=1S/C8H16O2.C2H4O2.Al.3H/c1-5(2)7(6(3)4)8(9)10;1-2(3)4;;;;/h5-7H,1-4H3,(H,9,10);1H3,(H,3,4);;;;
InChIKeyJNQILRIFELGEKQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
alumane;2-methylpropanoic acid
CID 173068323
3-methoxycarbonyl-4-methyl-2-propan-2-ylpentanoic acid
CID 118404303
3-hydroxy-2-propan-2-ylpentanoic acid
CID 62398643
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
acetic acid
CID 158444727
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169
(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid
CID 15275461
3-(dimethylamino)-2-propan-2-ylhexanoic acid
CID 116913148
acetic acid;ethane-1,1-diamine
CID 157325550
2,6-dimethyl-5-propan-2-ylhept-2-en-4-one
CID 174864844

Frequently Asked Questions

What is the IUPAC name of acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid?
The IUPAC name of acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid (CID 175060887) is acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid.
What is the SMILES notation for acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid?
The canonical SMILES for acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid is CC(=O)O.CC(C)C(C(=O)O)C(C)C.[AlH3].
What is the InChIKey of acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid?
The InChIKey is JNQILRIFELGEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H4O2.Al.3H/c1-5(2)7(6(3)4)8(9)10;1-2(3)4;;;;/h5-7H,1-4H3,(H,9,10);1H3,(H,3,4);;;;.
What are the key properties of acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid?
acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid has a molecular weight of 234.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 175060887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).