CID 16685413

C3H7AlO2 — CID 16685413

IUPAC—
SMILESCOCCO[Al]
InChIInChI=1S/C3H7O2.Al/c1-5-3-2-4;/h2-3H2,1H3;/q-1;+1
InChIKeyDBRFRXYOJQKKOG-UHFFFAOYSA-N
MW102.07 g/mol
LogP-0.27
Rot. Bonds3

About CID 16685413

CID 16685413 (PubChem CID 16685413) has the molecular formula C3H7AlO2 and a molecular weight of 102.07 g/mol.

Molecular Properties

Compound NameCID 16685413
PubChem CID16685413
Molecular FormulaC3H7AlO2
Molecular Weight102.07 g/mol
Exact Mass102.03
IUPAC Name—
SMILESCOCCO[Al]
InChIInChI=1S/C3H7O2.Al/c1-5-3-2-4;/h2-3H2,1H3;/q-1;+1
InChIKeyDBRFRXYOJQKKOG-UHFFFAOYSA-N
XLogP-0.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 16685413?
The IUPAC name of CID 16685413 (CID 16685413) is not available.
What is the SMILES notation for CID 16685413?
The canonical SMILES for CID 16685413 is COCCO[Al].
What is the InChIKey of CID 16685413?
The InChIKey is DBRFRXYOJQKKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2.Al/c1-5-3-2-4;/h2-3H2,1H3;/q-1;+1.
What are the key properties of CID 16685413?
CID 16685413 has a molecular weight of 102.07 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16685413 is sourced from PubChem (CID 16685413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).