pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate

C14H26NO4P — CID 175595452

IUPACpyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate
SMILESCC(C)(C)C(OP(=O)(O)O)C(C)(C)C.c1ccncc1
InChIInChI=1S/C9H21O4P.C5H5N/c1-8(2,3)7(9(4,5)6)13-14(10,11)12;1-2-4-6-5-3-1/h7H,1-6H3,(H2,10,11,12);1-5H
InChIKeyVUCZHPULOHYEBL-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.64
Rot. Bonds2

About pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate

pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate (PubChem CID 175595452) has the molecular formula C14H26NO4P and a molecular weight of 303.34 g/mol. Its IUPAC name is pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate.

Molecular Properties

Compound Namepyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate
PubChem CID175595452
Molecular FormulaC14H26NO4P
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Namepyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate
SMILESCC(C)(C)C(OP(=O)(O)O)C(C)(C)C.c1ccncc1
InChIInChI=1S/C9H21O4P.C5H5N/c1-8(2,3)7(9(4,5)6)13-14(10,11)12;1-2-4-6-5-3-1/h7H,1-6H3,(H2,10,11,12);1-5H
InChIKeyVUCZHPULOHYEBL-UHFFFAOYSA-N
XLogP3.64
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
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 pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate?
The IUPAC name of pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate (CID 175595452) is pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate.
What is the SMILES notation for pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate?
The canonical SMILES for pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate is CC(C)(C)C(OP(=O)(O)O)C(C)(C)C.c1ccncc1.
What is the InChIKey of pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate?
The InChIKey is VUCZHPULOHYEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4P.C5H5N/c1-8(2,3)7(9(4,5)6)13-14(10,11)12;1-2-4-6-5-3-1/h7H,1-6H3,(H2,10,11,12);1-5H.
What are the key properties of pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate?
pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate has a molecular weight of 303.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate is sourced from PubChem (CID 175595452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).