CID 88812624

C4H7AlIO — CID 88812624

IUPAC—
SMILESCCC(I)C=O.[Al]
InChIInChI=1S/C4H7IO.Al/c1-2-4(5)3-6;/h3-4H,2H2,1H3;
InChIKeyYTXCYYSRKWGFSS-UHFFFAOYSA-N
MW224.98 g/mol
LogP1.02
Rot. Bonds2

About CID 88812624

CID 88812624 (PubChem CID 88812624) has the molecular formula C4H7AlIO and a molecular weight of 224.98 g/mol.

Molecular Properties

Compound NameCID 88812624
PubChem CID88812624
Molecular FormulaC4H7AlIO
Molecular Weight224.98 g/mol
Exact Mass224.94
IUPAC Name—
SMILESCCC(I)C=O.[Al]
InChIInChI=1S/C4H7IO.Al/c1-2-4(5)3-6;/h3-4H,2H2,1H3;
InChIKeyYTXCYYSRKWGFSS-UHFFFAOYSA-N
XLogP1.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.98
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-iodobutanal
CID 19782770
(2S)-2-ethylpentanal
CID 71368973
acetaldehyde;2-hydroxybutanal
CID 126485500
2-hydroxybutanal;silane;hydrate
CID 174946258
trimethyl(1-oxobutan-2-yl)azanium
CID 89178917
2-(diethylamino)butanal
CID 57012052
(2R)-2-iodo-3-phenylpropanal
CID 53487128
(2S)-2-formylbutanenitrile
CID 93296310
2-formylbutanoic acid
CID 13470445
2-iodopropyl formate
CID 87289117
(2R,3R)-2-hydroxy-3-methylpentanal
CID 89028923
2-(trichloromethyl)butanal
CID 11019634

Frequently Asked Questions

What is the IUPAC name of CID 88812624?
The IUPAC name of CID 88812624 (CID 88812624) is not available.
What is the SMILES notation for CID 88812624?
The canonical SMILES for CID 88812624 is CCC(I)C=O.[Al].
What is the InChIKey of CID 88812624?
The InChIKey is YTXCYYSRKWGFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IO.Al/c1-2-4(5)3-6;/h3-4H,2H2,1H3;.
What are the key properties of CID 88812624?
CID 88812624 has a molecular weight of 224.98 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88812624 is sourced from PubChem (CID 88812624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).