CID 176741066

C8H21AlN2O4P2 — CID 176741066

IUPAC—
SMILESCCP(=O)(CC)O[Al].CN1CCN(C)P1(=O)O
InChIInChI=1S/C4H11N2O2P.C4H11O2P.Al/c1-5-3-4-6(2)9(5,7)8;1-3-7(5,6)4-2;/h3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,5,6);/q;;+1/p-1
InChIKeyLJHDIFVHKHPMET-UHFFFAOYSA-M
MW298.20 g/mol
LogP1.37
Rot. Bonds3

About CID 176741066

CID 176741066 (PubChem CID 176741066) has the molecular formula C8H21AlN2O4P2 and a molecular weight of 298.20 g/mol.

Molecular Properties

Compound NameCID 176741066
PubChem CID176741066
Molecular FormulaC8H21AlN2O4P2
Molecular Weight298.20 g/mol
Exact Mass298.08
IUPAC Name—
SMILESCCP(=O)(CC)O[Al].CN1CCN(C)P1(=O)O
InChIInChI=1S/C4H11N2O2P.C4H11O2P.Al/c1-5-3-4-6(2)9(5,7)8;1-3-7(5,6)4-2;/h3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,5,6);/q;;+1/p-1
InChIKeyLJHDIFVHKHPMET-UHFFFAOYSA-M
XLogP1.37
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176741066?
The IUPAC name of CID 176741066 (CID 176741066) is not available.
What is the SMILES notation for CID 176741066?
The canonical SMILES for CID 176741066 is CCP(=O)(CC)O[Al].CN1CCN(C)P1(=O)O.
What is the InChIKey of CID 176741066?
The InChIKey is LJHDIFVHKHPMET-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11N2O2P.C4H11O2P.Al/c1-5-3-4-6(2)9(5,7)8;1-3-7(5,6)4-2;/h3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,5,6);/q;;+1/p-1.
What are the key properties of CID 176741066?
CID 176741066 has a molecular weight of 298.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176741066 is sourced from PubChem (CID 176741066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).