bis(1-adamantyl)-propan-2-ylphosphane

C23H37P — CID 12040497

IUPACbis(1-adamantyl)-propan-2-ylphosphane
SMILESCC(C)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H37P/c1-15(2)24(22-9-16-3-17(10-22)5-18(4-16)11-22)23-12-19-6-20(13-23)8-21(7-19)14-23/h15-21H,3-14H2,1-2H3
InChIKeyIYPGZJCYILHNEU-UHFFFAOYSA-N
MW344.52 g/mol
LogP6.81
Rot. Bonds3

About bis(1-adamantyl)-propan-2-ylphosphane

bis(1-adamantyl)-propan-2-ylphosphane (PubChem CID 12040497) has the molecular formula C23H37P and a molecular weight of 344.52 g/mol. Its IUPAC name is bis(1-adamantyl)-propan-2-ylphosphane.

Molecular Properties

Compound Namebis(1-adamantyl)-propan-2-ylphosphane
PubChem CID12040497
Molecular FormulaC23H37P
Molecular Weight344.52 g/mol
Exact Mass344.26
IUPAC Namebis(1-adamantyl)-propan-2-ylphosphane
SMILESCC(C)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H37P/c1-15(2)24(22-9-16-3-17(10-22)5-18(4-16)11-22)23-12-19-6-20(13-23)8-21(7-19)14-23/h15-21H,3-14H2,1-2H3
InChIKeyIYPGZJCYILHNEU-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 56.81
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 bis(1-adamantyl)-propan-2-ylphosphane?
The IUPAC name of bis(1-adamantyl)-propan-2-ylphosphane (CID 12040497) is bis(1-adamantyl)-propan-2-ylphosphane.
What is the SMILES notation for bis(1-adamantyl)-propan-2-ylphosphane?
The canonical SMILES for bis(1-adamantyl)-propan-2-ylphosphane is CC(C)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of bis(1-adamantyl)-propan-2-ylphosphane?
The InChIKey is IYPGZJCYILHNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37P/c1-15(2)24(22-9-16-3-17(10-22)5-18(4-16)11-22)23-12-19-6-20(13-23)8-21(7-19)14-23/h15-21H,3-14H2,1-2H3.
What are the key properties of bis(1-adamantyl)-propan-2-ylphosphane?
bis(1-adamantyl)-propan-2-ylphosphane has a molecular weight of 344.52 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-propan-2-ylphosphane is sourced from PubChem (CID 12040497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).