CID 169043914

C7H18B2N2O2P — CID 169043914

IUPAC—
SMILES[2H][B]/N=B/OP(OC)N(C(C)C)C(C)C
InChIInChI=1S/C7H18B2N2O2P/c1-6(2)11(7(3)4)14(12-5)13-9-10-8/h6-8H,1-5H3/i8D
InChIKeyAOTRJHXJJPLQMV-BNEYPBHNSA-N
MW215.84 g/mol
LogP1.61
Rot. Bonds7

About CID 169043914

CID 169043914 (PubChem CID 169043914) has the molecular formula C7H18B2N2O2P and a molecular weight of 215.84 g/mol.

Molecular Properties

Compound NameCID 169043914
PubChem CID169043914
Molecular FormulaC7H18B2N2O2P
Molecular Weight215.84 g/mol
Exact Mass216.14
IUPAC Name—
SMILES[2H][B]/N=B/OP(OC)N(C(C)C)C(C)C
InChIInChI=1S/C7H18B2N2O2P/c1-6(2)11(7(3)4)14(12-5)13-9-10-8/h6-8H,1-5H3/i8D
InChIKeyAOTRJHXJJPLQMV-BNEYPBHNSA-N
XLogP1.61
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.84
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 169043914?
The IUPAC name of CID 169043914 (CID 169043914) is not available.
What is the SMILES notation for CID 169043914?
The canonical SMILES for CID 169043914 is [2H][B]/N=B/OP(OC)N(C(C)C)C(C)C.
What is the InChIKey of CID 169043914?
The InChIKey is AOTRJHXJJPLQMV-BNEYPBHNSA-N. The full InChI is InChI=1S/C7H18B2N2O2P/c1-6(2)11(7(3)4)14(12-5)13-9-10-8/h6-8H,1-5H3/i8D.
What are the key properties of CID 169043914?
CID 169043914 has a molecular weight of 215.84 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169043914 is sourced from PubChem (CID 169043914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).