1,1-bis(2-adamantyl)ethylphosphane

C22H35P — CID 68580004

IUPAC1,1-bis(2-adamantyl)ethylphosphane
SMILESCC(P)(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35P/c1-22(23,20-16-4-12-2-13(6-16)7-17(20)5-12)21-18-8-14-3-15(10-18)11-19(21)9-14/h12-21H,2-11,23H2,1H3
InChIKeyURXKGTHNCZFRJO-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.76
Rot. Bonds2

About 1,1-bis(2-adamantyl)ethylphosphane

1,1-bis(2-adamantyl)ethylphosphane (PubChem CID 68580004) has the molecular formula C22H35P and a molecular weight of 330.50 g/mol. Its IUPAC name is 1,1-bis(2-adamantyl)ethylphosphane.

Molecular Properties

Compound Name1,1-bis(2-adamantyl)ethylphosphane
PubChem CID68580004
Molecular FormulaC22H35P
Molecular Weight330.50 g/mol
Exact Mass330.25
IUPAC Name1,1-bis(2-adamantyl)ethylphosphane
SMILESCC(P)(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35P/c1-22(23,20-16-4-12-2-13(6-16)7-17(20)5-12)21-18-8-14-3-15(10-18)11-19(21)9-14/h12-21H,2-11,23H2,1H3
InChIKeyURXKGTHNCZFRJO-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.76
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 1,1-bis(2-adamantyl)ethylphosphane?
The IUPAC name of 1,1-bis(2-adamantyl)ethylphosphane (CID 68580004) is 1,1-bis(2-adamantyl)ethylphosphane.
What is the SMILES notation for 1,1-bis(2-adamantyl)ethylphosphane?
The canonical SMILES for 1,1-bis(2-adamantyl)ethylphosphane is CC(P)(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1,1-bis(2-adamantyl)ethylphosphane?
The InChIKey is URXKGTHNCZFRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35P/c1-22(23,20-16-4-12-2-13(6-16)7-17(20)5-12)21-18-8-14-3-15(10-18)11-19(21)9-14/h12-21H,2-11,23H2,1H3.
What are the key properties of 1,1-bis(2-adamantyl)ethylphosphane?
1,1-bis(2-adamantyl)ethylphosphane has a molecular weight of 330.50 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-adamantyl)ethylphosphane is sourced from PubChem (CID 68580004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).