[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane

C23H42P2 — CID 10886529

IUPAC[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane
SMILESCc1cc(C)c(CP(C(C)C)C(C)C)c(C)c1CP(C(C)C)C(C)C
InChIInChI=1S/C23H42P2/c1-15(2)24(16(3)4)13-22-19(9)12-20(10)23(21(22)11)14-25(17(5)6)18(7)8/h12,15-18H,13-14H2,1-11H3
InChIKeyIKFYLXWUDJHPGO-UHFFFAOYSA-N
MW380.54 g/mol
LogP8.21
Rot. Bonds8

About [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane

[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane (PubChem CID 10886529) has the molecular formula C23H42P2 and a molecular weight of 380.54 g/mol. Its IUPAC name is [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane
PubChem CID10886529
Molecular FormulaC23H42P2
Molecular Weight380.54 g/mol
Exact Mass380.28
IUPAC Name[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane
SMILESCc1cc(C)c(CP(C(C)C)C(C)C)c(C)c1CP(C(C)C)C(C)C
InChIInChI=1S/C23H42P2/c1-15(2)24(16(3)4)13-22-19(9)12-20(10)23(21(22)11)14-25(17(5)6)18(7)8/h12,15-18H,13-14H2,1-11H3
InChIKeyIKFYLXWUDJHPGO-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane?
The IUPAC name of [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane (CID 10886529) is [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane.
What is the SMILES notation for [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane?
The canonical SMILES for [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane is Cc1cc(C)c(CP(C(C)C)C(C)C)c(C)c1CP(C(C)C)C(C)C.
What is the InChIKey of [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane?
The InChIKey is IKFYLXWUDJHPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42P2/c1-15(2)24(16(3)4)13-22-19(9)12-20(10)23(21(22)11)14-25(17(5)6)18(7)8/h12,15-18H,13-14H2,1-11H3.
What are the key properties of [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane?
[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane has a molecular weight of 380.54 g/mol, XLogP of 8.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 10886529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).