CID 173083540

C5H9AlO — CID 173083540

IUPAC—
SMILESO=CCCCC[Al]
InChIInChI=1S/C5H9O.Al/c1-2-3-4-5-6;/h5H,1-4H2;
InChIKeyDOJIYGNCSCJLKY-UHFFFAOYSA-N
MW112.11 g/mol
LogP0.94
Rot. Bonds4

About CID 173083540

CID 173083540 (PubChem CID 173083540) has the molecular formula C5H9AlO and a molecular weight of 112.11 g/mol.

Molecular Properties

Compound NameCID 173083540
PubChem CID173083540
Molecular FormulaC5H9AlO
Molecular Weight112.11 g/mol
Exact Mass112.05
IUPAC Name—
SMILESO=CCCCC[Al]
InChIInChI=1S/C5H9O.Al/c1-2-3-4-5-6;/h5H,1-4H2;
InChIKeyDOJIYGNCSCJLKY-UHFFFAOYSA-N
XLogP0.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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pentanedial;silane
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hydron;pentanedial
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hydrazine;pentanedial
CID 19882033
hexanal;titanium
CID 87066655
25-hydroxypentacosanal
CID 90897330
henicos-20-enal
CID 14559831
12-fluorododecanal
CID 24837741
4-aminobutanal;ethane
CID 91518862
34-hydroxytetratriacontanal
CID 123873694

Frequently Asked Questions

What is the IUPAC name of CID 173083540?
The IUPAC name of CID 173083540 (CID 173083540) is not available.
What is the SMILES notation for CID 173083540?
The canonical SMILES for CID 173083540 is O=CCCCC[Al].
What is the InChIKey of CID 173083540?
The InChIKey is DOJIYGNCSCJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Al/c1-2-3-4-5-6;/h5H,1-4H2;.
What are the key properties of CID 173083540?
CID 173083540 has a molecular weight of 112.11 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173083540 is sourced from PubChem (CID 173083540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).