1,1-bis(2-adamantyl)hexylphosphane

C26H43P — CID 68580226

IUPAC1,1-bis(2-adamantyl)hexylphosphane
SMILESCCCCCC(P)(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H43P/c1-2-3-4-5-26(27,24-20-8-16-6-17(10-20)11-21(24)9-16)25-22-12-18-7-19(14-22)15-23(25)13-18/h16-25H,2-15,27H2,1H3
InChIKeyQQOZCTRQKIUQPN-UHFFFAOYSA-N
MW386.60 g/mol
LogP7.33
Rot. Bonds6

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

1,1-bis(2-adamantyl)hexylphosphane (PubChem CID 68580226) has the molecular formula C26H43P and a molecular weight of 386.60 g/mol. Its IUPAC name is 1,1-bis(2-adamantyl)hexylphosphane.

Molecular Properties

Compound Name1,1-bis(2-adamantyl)hexylphosphane
PubChem CID68580226
Molecular FormulaC26H43P
Molecular Weight386.60 g/mol
Exact Mass386.31
IUPAC Name1,1-bis(2-adamantyl)hexylphosphane
SMILESCCCCCC(P)(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H43P/c1-2-3-4-5-26(27,24-20-8-16-6-17(10-20)11-21(24)9-16)25-22-12-18-7-19(14-22)15-23(25)13-18/h16-25H,2-15,27H2,1H3
InChIKeyQQOZCTRQKIUQPN-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane
CID 66992606
adamantane;hexane
CID 157109132
1,1-bis(2-adamantyl)ethylphosphane
CID 68580004
bicyclo[2.2.1]heptane;heptane
CID 161465006
12-undecyltricosan-12-ylphosphane
CID 21324491
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
N-hexyladamantan-2-amine
CID 43406596
7-butyltridecan-7-ylphosphane
CID 118892798
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
2-octyladamantan-2-ol
CID 22603447

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-adamantyl)hexylphosphane?
The IUPAC name of 1,1-bis(2-adamantyl)hexylphosphane (CID 68580226) is 1,1-bis(2-adamantyl)hexylphosphane.
What is the SMILES notation for 1,1-bis(2-adamantyl)hexylphosphane?
The canonical SMILES for 1,1-bis(2-adamantyl)hexylphosphane is CCCCCC(P)(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1,1-bis(2-adamantyl)hexylphosphane?
The InChIKey is QQOZCTRQKIUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43P/c1-2-3-4-5-26(27,24-20-8-16-6-17(10-20)11-21(24)9-16)25-22-12-18-7-19(14-22)15-23(25)13-18/h16-25H,2-15,27H2,1H3.
What are the key properties of 1,1-bis(2-adamantyl)hexylphosphane?
1,1-bis(2-adamantyl)hexylphosphane has a molecular weight of 386.60 g/mol, XLogP of 7.33, 6 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)hexylphosphane is sourced from PubChem (CID 68580226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).