CID 174465179

C6H12AlO3 — CID 174465179

IUPAC—
SMILESCC(=O)O.CC[Al]C(C)=O
InChIInChI=1S/C2H4O2.C2H3O.C2H5.Al/c1-2(3)4;1-2-3;1-2;/h1H3,(H,3,4);1H3;1H2,2H3;
InChIKeyZGOLSVIPTPMUJU-UHFFFAOYSA-N
MW159.14 g/mol
LogP0.77
Rot. Bonds2

About CID 174465179

CID 174465179 (PubChem CID 174465179) has the molecular formula C6H12AlO3 and a molecular weight of 159.14 g/mol.

Molecular Properties

Compound NameCID 174465179
PubChem CID174465179
Molecular FormulaC6H12AlO3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name—
SMILESCC(=O)O.CC[Al]C(C)=O
InChIInChI=1S/C2H4O2.C2H3O.C2H5.Al/c1-2(3)4;1-2-3;1-2;/h1H3,(H,3,4);1H3;1H2,2H3;
InChIKeyZGOLSVIPTPMUJU-UHFFFAOYSA-N
XLogP0.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 174465179?
The IUPAC name of CID 174465179 (CID 174465179) is not available.
What is the SMILES notation for CID 174465179?
The canonical SMILES for CID 174465179 is CC(=O)O.CC[Al]C(C)=O.
What is the InChIKey of CID 174465179?
The InChIKey is ZGOLSVIPTPMUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H3O.C2H5.Al/c1-2(3)4;1-2-3;1-2;/h1H3,(H,3,4);1H3;1H2,2H3;.
What are the key properties of CID 174465179?
CID 174465179 has a molecular weight of 159.14 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174465179 is sourced from PubChem (CID 174465179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).