acetic acid;1-alumanylpropan-2-one

C5H11AlO3 — CID 175054344

IUPACacetic acid;1-alumanylpropan-2-one
SMILESCC(=O)C[AlH2].CC(=O)O
InChIInChI=1S/C3H5O.C2H4O2.Al.2H/c1-3(2)4;1-2(3)4;;;/h1H2,2H3;1H3,(H,3,4);;;
InChIKeyMHQHXJAPTNFTSM-UHFFFAOYSA-N
MW146.12 g/mol
LogP-0.28
Rot. Bonds1

About acetic acid;1-alumanylpropan-2-one

acetic acid;1-alumanylpropan-2-one (PubChem CID 175054344) has the molecular formula C5H11AlO3 and a molecular weight of 146.12 g/mol. Its IUPAC name is acetic acid;1-alumanylpropan-2-one.

Molecular Properties

Compound Nameacetic acid;1-alumanylpropan-2-one
PubChem CID175054344
Molecular FormulaC5H11AlO3
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC Nameacetic acid;1-alumanylpropan-2-one
SMILESCC(=O)C[AlH2].CC(=O)O
InChIInChI=1S/C3H5O.C2H4O2.Al.2H/c1-3(2)4;1-2(3)4;;;/h1H2,2H3;1H3,(H,3,4);;;
InChIKeyMHQHXJAPTNFTSM-UHFFFAOYSA-N
XLogP-0.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174437121
acetic acid;molybdenum;nickel
CID 174906358
acetic acid;cobalt;molybdenum
CID 174687861
acetic acid
CID 158444727
calcium;sodium;acetic acid;hydride
CID 173169093
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;methanol
CID 173388753
acetic acid;stibane
CID 173054099
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-alumanylpropan-2-one?
The IUPAC name of acetic acid;1-alumanylpropan-2-one (CID 175054344) is acetic acid;1-alumanylpropan-2-one.
What is the SMILES notation for acetic acid;1-alumanylpropan-2-one?
The canonical SMILES for acetic acid;1-alumanylpropan-2-one is CC(=O)C[AlH2].CC(=O)O.
What is the InChIKey of acetic acid;1-alumanylpropan-2-one?
The InChIKey is MHQHXJAPTNFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O.C2H4O2.Al.2H/c1-3(2)4;1-2(3)4;;;/h1H2,2H3;1H3,(H,3,4);;;.
What are the key properties of acetic acid;1-alumanylpropan-2-one?
acetic acid;1-alumanylpropan-2-one has a molecular weight of 146.12 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-alumanylpropan-2-one is sourced from PubChem (CID 175054344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).