CID 16688488

C6H14AlO4 — CID 16688488

IUPAC—
SMILESCOCCO[Al]OCCOC
InChIInChI=1S/2C3H7O2.Al/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2
InChIKeyUPBWIICFGYMCPC-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.15
Rot. Bonds8

About CID 16688488

CID 16688488 (PubChem CID 16688488) has the molecular formula C6H14AlO4 and a molecular weight of 177.16 g/mol.

Molecular Properties

Compound NameCID 16688488
PubChem CID16688488
Molecular FormulaC6H14AlO4
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Name—
SMILESCOCCO[Al]OCCOC
InChIInChI=1S/2C3H7O2.Al/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2
InChIKeyUPBWIICFGYMCPC-UHFFFAOYSA-N
XLogP-0.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 16688488?
The IUPAC name of CID 16688488 (CID 16688488) is not available.
What is the SMILES notation for CID 16688488?
The canonical SMILES for CID 16688488 is COCCO[Al]OCCOC.
What is the InChIKey of CID 16688488?
The InChIKey is UPBWIICFGYMCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Al/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2.
What are the key properties of CID 16688488?
CID 16688488 has a molecular weight of 177.16 g/mol, XLogP of -0.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16688488 is sourced from PubChem (CID 16688488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).