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

C29H55NO6P2 — CID 171342364

IUPAC4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine
SMILESCCCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C29H55NO6P2/c1-15-16-29(13,14)26-18-24(17-25(30-26)28(10,11)12)19-27(37(31,33-20(2)3)34-21(4)5)38(32,35-22(6)7)36-23(8)9/h17-18,20-23,27H,15-16,19H2,1-14H3
InChIKeyYVBNZWCHBLVPFR-UHFFFAOYSA-N
MW575.71 g/mol
LogP9.41
Rot. Bonds15

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

4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine (PubChem CID 171342364) 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-tert-butyl-6-(2-methylpentan-2-yl)pyridine.

Molecular Properties

Compound Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine
PubChem CID171342364
Molecular FormulaC29H55NO6P2
Molecular Weight575.71 g/mol
Exact Mass575.35
IUPAC Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine
SMILESCCCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C29H55NO6P2/c1-15-16-29(13,14)26-18-24(17-25(30-26)28(10,11)12)19-27(37(31,33-20(2)3)34-21(4)5)38(32,35-22(6)7)36-23(8)9/h17-18,20-23,27H,15-16,19H2,1-14H3
InChIKeyYVBNZWCHBLVPFR-UHFFFAOYSA-N
XLogP9.41
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine?
The IUPAC name of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine (CID 171342364) is 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine.
What is the SMILES notation for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine?
The canonical SMILES for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine is CCCC(C)(C)c1cc(CC(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(C(C)(C)C)n1.
What is the InChIKey of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine?
The InChIKey is YVBNZWCHBLVPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55NO6P2/c1-15-16-29(13,14)26-18-24(17-25(30-26)28(10,11)12)19-27(37(31,33-20(2)3)34-21(4)5)38(32,35-22(6)7)36-23(8)9/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-tert-butyl-6-(2-methylpentan-2-yl)pyridine?
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2-tert-butyl-6-(2-methylpentan-2-yl)pyridine has a molecular weight of 575.71 g/mol, XLogP of 9.41, 15 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-tert-butyl-6-(2-methylpentan-2-yl)pyridine is sourced from PubChem (CID 171342364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).