(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid

C15H25O3P — CID 154061892

IUPAC(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid
SMILESCC(C)(C)C(c1ccccc1)(C(C)(C)C)P(=O)(O)O
InChIInChI=1S/C15H25O3P/c1-13(2,3)15(14(4,5)6,19(16,17)18)12-10-8-7-9-11-12/h7-11H,1-6H3,(H2,16,17,18)
InChIKeyIBEMKHHZTXHCQA-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.15
Rot. Bonds2

About (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid

(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid (PubChem CID 154061892) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid.

Molecular Properties

Compound Name(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid
PubChem CID154061892
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid
SMILESCC(C)(C)C(c1ccccc1)(C(C)(C)C)P(=O)(O)O
InChIInChI=1S/C15H25O3P/c1-13(2,3)15(14(4,5)6,19(16,17)18)12-10-8-7-9-11-12/h7-11H,1-6H3,(H2,16,17,18)
InChIKeyIBEMKHHZTXHCQA-UHFFFAOYSA-N
XLogP4.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid?
The IUPAC name of (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid (CID 154061892) is (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid.
What is the SMILES notation for (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid?
The canonical SMILES for (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid is CC(C)(C)C(c1ccccc1)(C(C)(C)C)P(=O)(O)O.
What is the InChIKey of (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid?
The InChIKey is IBEMKHHZTXHCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-13(2,3)15(14(4,5)6,19(16,17)18)12-10-8-7-9-11-12/h7-11H,1-6H3,(H2,16,17,18).
What are the key properties of (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid?
(2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid has a molecular weight of 284.34 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4,4-tetramethyl-3-phenylpentan-3-yl)phosphonic acid is sourced from PubChem (CID 154061892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).