2-(1-adamantyl)butan-2-ylphosphane

C14H25P — CID 166806637

IUPAC2-(1-adamantyl)butan-2-ylphosphane
SMILESCCC(C)(P)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25P/c1-3-13(2,15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,3-9,15H2,1-2H3
InChIKeyGUKVDXHKXUKHKY-UHFFFAOYSA-N
MW224.33 g/mol
LogP4.25
Rot. Bonds2

About 2-(1-adamantyl)butan-2-ylphosphane

2-(1-adamantyl)butan-2-ylphosphane (PubChem CID 166806637) has the molecular formula C14H25P and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(1-adamantyl)butan-2-ylphosphane.

Molecular Properties

Compound Name2-(1-adamantyl)butan-2-ylphosphane
PubChem CID166806637
Molecular FormulaC14H25P
Molecular Weight224.33 g/mol
Exact Mass224.17
IUPAC Name2-(1-adamantyl)butan-2-ylphosphane
SMILESCCC(C)(P)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25P/c1-3-13(2,15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,3-9,15H2,1-2H3
InChIKeyGUKVDXHKXUKHKY-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(1-adamantyl)pentan-3-ol
CID 3916017
acetic acid;1-tert-butyladamantane
CID 66772325
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane
CID 158656584
2-(1-adamantyl)-3-ethylpentan-2-ol
CID 18323328
[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane
CID 87284868
(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol
CID 71030049
1-[1-(1-adamantyl)-1-iodobutyl]adamantane
CID 87620474
2-(1-adamantyl)-N-methylpropan-2-amine
CID 3010141
3-(1-adamantyl)butane-1,3-diol
CID 2802841
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
CID 170386418
[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane
CID 67083235

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)butan-2-ylphosphane?
The IUPAC name of 2-(1-adamantyl)butan-2-ylphosphane (CID 166806637) is 2-(1-adamantyl)butan-2-ylphosphane.
What is the SMILES notation for 2-(1-adamantyl)butan-2-ylphosphane?
The canonical SMILES for 2-(1-adamantyl)butan-2-ylphosphane is CCC(C)(P)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)butan-2-ylphosphane?
The InChIKey is GUKVDXHKXUKHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25P/c1-3-13(2,15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 2-(1-adamantyl)butan-2-ylphosphane?
2-(1-adamantyl)butan-2-ylphosphane has a molecular weight of 224.33 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)butan-2-ylphosphane is sourced from PubChem (CID 166806637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).