4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine

C29H55NO6P2 — CID 171343705

IUPAC4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine
SMILESCCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)CC)n1
InChIInChI=1S/C29H55NO6P2/c1-15-28(11,12)25-17-24(18-26(30-25)29(13,14)16-2)19-27(37(31,33-20(3)4)34-21(5)6)38(32,35-22(7)8)36-23(9)10/h17-18,20-23,27H,15-16,19H2,1-14H3
InChIKeyWWPSJDWJBPIUFL-UHFFFAOYSA-N
MW575.71 g/mol
LogP9.41
Rot. Bonds16

About 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine

4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine (PubChem CID 171343705) has the molecular formula C29H55NO6P2 and a molecular weight of 575.71 g/mol. Its IUPAC name is 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine
PubChem CID171343705
Molecular FormulaC29H55NO6P2
Molecular Weight575.71 g/mol
Exact Mass575.35
IUPAC Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine
SMILESCCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)CC)n1
InChIInChI=1S/C29H55NO6P2/c1-15-28(11,12)25-17-24(18-26(30-25)29(13,14)16-2)19-27(37(31,33-20(3)4)34-21(5)6)38(32,35-22(7)8)36-23(9)10/h17-18,20-23,27H,15-16,19H2,1-14H3
InChIKeyWWPSJDWJBPIUFL-UHFFFAOYSA-N
XLogP9.41
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine?
The IUPAC name of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine (CID 171343705) is 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine.
What is the SMILES notation for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine?
The canonical SMILES for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine is CCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)CC)n1.
What is the InChIKey of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine?
The InChIKey is WWPSJDWJBPIUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55NO6P2/c1-15-28(11,12)25-17-24(18-26(30-25)29(13,14)16-2)19-27(37(31,33-20(3)4)34-21(5)6)38(32,35-22(7)8)36-23(9)10/h17-18,20-23,27H,15-16,19H2,1-14H3.
What are the key properties of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine?
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine has a molecular weight of 575.71 g/mol, XLogP of 9.41, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-bis(2-methylbutan-2-yl)pyridine is sourced from PubChem (CID 171343705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).