[3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane

C15H26P2 — CID 88828585

IUPAC[3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane
SMILESCc1cc(C)c(CP(C)C)c(C)c1CP(C)C
InChIInChI=1S/C15H26P2/c1-11-8-12(2)15(10-17(6)7)13(3)14(11)9-16(4)5/h8H,9-10H2,1-7H3
InChIKeyHZIFXOVITHHYGX-UHFFFAOYSA-N
MW268.32 g/mol
LogP5.09
Rot. Bonds4

About [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane

[3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane (PubChem CID 88828585) has the molecular formula C15H26P2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane.

Molecular Properties

Compound Name[3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane
PubChem CID88828585
Molecular FormulaC15H26P2
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name[3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane
SMILESCc1cc(C)c(CP(C)C)c(C)c1CP(C)C
InChIInChI=1S/C15H26P2/c1-11-8-12(2)15(10-17(6)7)13(3)14(11)9-16(4)5/h8H,9-10H2,1-7H3
InChIKeyHZIFXOVITHHYGX-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.32
LogP ≤ 55.09
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-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane?
The IUPAC name of [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane (CID 88828585) is [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane.
What is the SMILES notation for [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane?
The canonical SMILES for [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane is Cc1cc(C)c(CP(C)C)c(C)c1CP(C)C.
What is the InChIKey of [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane?
The InChIKey is HZIFXOVITHHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26P2/c1-11-8-12(2)15(10-17(6)7)13(3)14(11)9-16(4)5/h8H,9-10H2,1-7H3.
What are the key properties of [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane?
[3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane has a molecular weight of 268.32 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylphosphanylmethyl)-2,4,6-trimethylphenyl]methyl-dimethylphosphane is sourced from PubChem (CID 88828585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).