[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane

C26H40O2P2 — CID 88969379

IUPAC[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
SMILESCCC(C)(Pc1c(C)cccc1P(C)C)c1cc(C)cc(C(C)(C)C)c1OCOC
InChIInChI=1S/C26H40O2P2/c1-11-26(7,29-24-19(3)13-12-14-22(24)30(9)10)21-16-18(2)15-20(25(4,5)6)23(21)28-17-27-8/h12-16,29H,11,17H2,1-10H3
InChIKeyFLCYJKCJTCKEIG-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.58
Rot. Bonds8

About [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane

[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane (PubChem CID 88969379) has the molecular formula C26H40O2P2 and a molecular weight of 446.55 g/mol. Its IUPAC name is [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane.

Molecular Properties

Compound Name[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
PubChem CID88969379
Molecular FormulaC26H40O2P2
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC Name[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
SMILESCCC(C)(Pc1c(C)cccc1P(C)C)c1cc(C)cc(C(C)(C)C)c1OCOC
InChIInChI=1S/C26H40O2P2/c1-11-26(7,29-24-19(3)13-12-14-22(24)30(9)10)21-16-18(2)15-20(25(4,5)6)23(21)28-17-27-8/h12-16,29H,11,17H2,1-10H3
InChIKeyFLCYJKCJTCKEIG-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.58
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-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
The IUPAC name of [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane (CID 88969379) is [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane.
What is the SMILES notation for [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
The canonical SMILES for [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane is CCC(C)(Pc1c(C)cccc1P(C)C)c1cc(C)cc(C(C)(C)C)c1OCOC.
What is the InChIKey of [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
The InChIKey is FLCYJKCJTCKEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2P2/c1-11-26(7,29-24-19(3)13-12-14-22(24)30(9)10)21-16-18(2)15-20(25(4,5)6)23(21)28-17-27-8/h12-16,29H,11,17H2,1-10H3.
What are the key properties of [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane has a molecular weight of 446.55 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane is sourced from PubChem (CID 88969379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).