2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine

C27H51NO6P2 — CID 171345163

IUPAC2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine
SMILESCC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)cc(C(C)(C)C)n1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C27H51NO6P2/c1-18(2)31-35(29,32-19(3)4)25(36(30,33-20(5)6)34-21(7)8)17-23-15-22(26(9,10)11)16-24(28-23)27(12,13)14/h15-16,18-21,25H,17H2,1-14H3
InChIKeyZCPLAYKZSUDSOZ-UHFFFAOYSA-N
MW547.65 g/mol
LogP8.63
Rot. Bonds12

About 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine

2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine (PubChem CID 171345163) has the molecular formula C27H51NO6P2 and a molecular weight of 547.65 g/mol. Its IUPAC name is 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine.

Molecular Properties

Compound Name2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine
PubChem CID171345163
Molecular FormulaC27H51NO6P2
Molecular Weight547.65 g/mol
Exact Mass547.32
IUPAC Name2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine
SMILESCC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)cc(C(C)(C)C)n1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C27H51NO6P2/c1-18(2)31-35(29,32-19(3)4)25(36(30,33-20(5)6)34-21(7)8)17-23-15-22(26(9,10)11)16-24(28-23)27(12,13)14/h15-16,18-21,25H,17H2,1-14H3
InChIKeyZCPLAYKZSUDSOZ-UHFFFAOYSA-N
XLogP8.63
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.65
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Ditert-butyl-4-[2-[but-3-ynoxy(propan-2-yloxy)phosphoryl]-2-di(propan-2-yloxy)phosphorylethyl]pyridine
CID 162652307
4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-ditert-butylpyridine
CID 162655966
2,6-Ditert-butyl-4-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy-propan-2-yloxyphosphoryl]-2-di(propan-2-yloxy)phosphorylethyl]pyridine
CID 162659195
2,6-Ditert-butyl-4-[2-di(propan-2-yloxy)phosphoryl-2-[propan-2-yloxy(prop-2-ynoxy)phosphoryl]ethyl]pyridine
CID 162676227
[2-(2,6-Ditert-butyl-4-pyridinyl)-1-di(propan-2-yloxy)phosphorylethyl]-propan-2-yloxyphosphinic acid
CID 162666709
4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine
CID 171342364
2-[4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethyl]-6-tert-butyl-2-pyridinyl]-2-methylpropan-1-ol
CID 171342396
4-[2,2-Bis(diethoxyphosphoryl)ethyl]-2,6-ditert-butylpyridine
CID 171343017
4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine
CID 171343705
4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-[1-fluoro-2-(fluoromethyl)butan-2-yl]pyridine
CID 171345791
4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-[1-(methoxymethoxy)-2-methylpropan-2-yl]pyridine
CID 171346860
4-[2,2-Bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(1-fluoro-2-methylpropan-2-yl)pyridine
CID 171348231

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine?
The IUPAC name of 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine (CID 171345163) is 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine.
What is the SMILES notation for 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine?
The canonical SMILES for 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine is CC(C)OP(=O)(OC(C)C)C(Cc1cc(C(C)(C)C)cc(C(C)(C)C)n1)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine?
The InChIKey is ZCPLAYKZSUDSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO6P2/c1-18(2)31-35(29,32-19(3)4)25(36(30,33-20(5)6)34-21(7)8)17-23-15-22(26(9,10)11)16-24(28-23)27(12,13)14/h15-16,18-21,25H,17H2,1-14H3.
What are the key properties of 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine?
2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine has a molecular weight of 547.65 g/mol, XLogP of 8.63, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-4,6-ditert-butylpyridine is sourced from PubChem (CID 171345163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).