2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane

C25H37O2P — CID 88987874

IUPAC2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
SMILESCCCC(C)(Pc1ccccc1C)c1cc(C(C)(C)C)cc(C)c1OCOC
InChIInChI=1S/C25H37O2P/c1-9-14-25(7,28-22-13-11-10-12-18(22)2)21-16-20(24(4,5)6)15-19(3)23(21)27-17-26-8/h10-13,15-16,28H,9,14,17H2,1-8H3
InChIKeyYXFBYVYQYPOVLJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP6.60
Rot. Bonds8

About 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane

2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane (PubChem CID 88987874) has the molecular formula C25H37O2P and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane.

Molecular Properties

Compound Name2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
PubChem CID88987874
Molecular FormulaC25H37O2P
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC Name2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
SMILESCCCC(C)(Pc1ccccc1C)c1cc(C(C)(C)C)cc(C)c1OCOC
InChIInChI=1S/C25H37O2P/c1-9-14-25(7,28-22-13-11-10-12-18(22)2)21-16-20(24(4,5)6)15-19(3)23(21)27-17-26-8/h10-13,15-16,28H,9,14,17H2,1-8H3
InChIKeyYXFBYVYQYPOVLJ-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane?
The IUPAC name of 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane (CID 88987874) is 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane.
What is the SMILES notation for 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane?
The canonical SMILES for 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane is CCCC(C)(Pc1ccccc1C)c1cc(C(C)(C)C)cc(C)c1OCOC.
What is the InChIKey of 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane?
The InChIKey is YXFBYVYQYPOVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37O2P/c1-9-14-25(7,28-22-13-11-10-12-18(22)2)21-16-20(24(4,5)6)15-19(3)23(21)27-17-26-8/h10-13,15-16,28H,9,14,17H2,1-8H3.
What are the key properties of 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane?
2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane has a molecular weight of 400.54 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane is sourced from PubChem (CID 88987874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).