[3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane

C20H36OP2 — CID 617298

IUPAC[3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane
SMILESCC(C)P(Cc1cccc(CP(=O)(C(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C20H36OP2/c1-15(2)22(16(3)4)13-19-10-9-11-20(12-19)14-23(21,17(5)6)18(7)8/h9-12,15-18H,13-14H2,1-8H3
InChIKeyHJQIJOSEMHLKOO-UHFFFAOYSA-N
MW354.46 g/mol
LogP7.17
Rot. Bonds8

About [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane

[3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane (PubChem CID 617298) has the molecular formula C20H36OP2 and a molecular weight of 354.46 g/mol. Its IUPAC name is [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane
PubChem CID617298
Molecular FormulaC20H36OP2
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane
SMILESCC(C)P(Cc1cccc(CP(=O)(C(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C20H36OP2/c1-15(2)22(16(3)4)13-19-10-9-11-20(12-19)14-23(21,17(5)6)18(7)8/h9-12,15-18H,13-14H2,1-8H3
InChIKeyHJQIJOSEMHLKOO-UHFFFAOYSA-N
XLogP7.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane?
The IUPAC name of [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane (CID 617298) is [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane.
What is the SMILES notation for [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane?
The canonical SMILES for [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane is CC(C)P(Cc1cccc(CP(=O)(C(C)C)C(C)C)c1)C(C)C.
What is the InChIKey of [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane?
The InChIKey is HJQIJOSEMHLKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36OP2/c1-15(2)22(16(3)4)13-19-10-9-11-20(12-19)14-23(21,17(5)6)18(7)8/h9-12,15-18H,13-14H2,1-8H3.
What are the key properties of [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane?
[3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane has a molecular weight of 354.46 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[di(propan-2-yl)phosphorylmethyl]phenyl]methyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 617298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).