CID 16695488

C4H10AlO2 — CID 16695488

IUPAC—
SMILESCCO[Al]OCC
InChIInChI=1S/2C2H5O.Al/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
InChIKeyKZMMGHBBGSVIKO-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.59
Rot. Bonds4

About CID 16695488

CID 16695488 (PubChem CID 16695488) has the molecular formula C4H10AlO2 and a molecular weight of 117.10 g/mol.

Molecular Properties

Compound NameCID 16695488
PubChem CID16695488
Molecular FormulaC4H10AlO2
Molecular Weight117.10 g/mol
Exact Mass117.05
IUPAC Name—
SMILESCCO[Al]OCC
InChIInChI=1S/2C2H5O.Al/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
InChIKeyKZMMGHBBGSVIKO-UHFFFAOYSA-N
XLogP0.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.59
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 16695488?
The IUPAC name of CID 16695488 (CID 16695488) is not available.
What is the SMILES notation for CID 16695488?
The canonical SMILES for CID 16695488 is CCO[Al]OCC.
What is the InChIKey of CID 16695488?
The InChIKey is KZMMGHBBGSVIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.Al/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2.
What are the key properties of CID 16695488?
CID 16695488 has a molecular weight of 117.10 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16695488 is sourced from PubChem (CID 16695488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).