2-adamantyl-bis(2-methylbutan-2-yl)phosphane

C20H37P — CID 139972819

IUPAC2-adamantyl-bis(2-methylbutan-2-yl)phosphane
SMILESCCC(C)(C)P(C1C2CC3CC(C2)CC1C3)C(C)(C)CC
InChIInChI=1S/C20H37P/c1-7-19(3,4)21(20(5,6)8-2)18-16-10-14-9-15(12-16)13-17(18)11-14/h14-18H,7-13H2,1-6H3
InChIKeyMPSIJMWGCXJXHI-UHFFFAOYSA-N
MW308.49 g/mol
LogP6.67
Rot. Bonds5

About 2-adamantyl-bis(2-methylbutan-2-yl)phosphane

2-adamantyl-bis(2-methylbutan-2-yl)phosphane (PubChem CID 139972819) has the molecular formula C20H37P and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-adamantyl-bis(2-methylbutan-2-yl)phosphane.

Molecular Properties

Compound Name2-adamantyl-bis(2-methylbutan-2-yl)phosphane
PubChem CID139972819
Molecular FormulaC20H37P
Molecular Weight308.49 g/mol
Exact Mass308.26
IUPAC Name2-adamantyl-bis(2-methylbutan-2-yl)phosphane
SMILESCCC(C)(C)P(C1C2CC3CC(C2)CC1C3)C(C)(C)CC
InChIInChI=1S/C20H37P/c1-7-19(3,4)21(20(5,6)8-2)18-16-10-14-9-15(12-16)13-17(18)11-14/h14-18H,7-13H2,1-6H3
InChIKeyMPSIJMWGCXJXHI-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.49
LogP ≤ 56.67
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

bis(2-adamantyl)-[1-[bis(2-adamantyl)phosphanyl]butyl]phosphane
CID 87940963
ethane;2-ethyladamantane
CID 91302679
bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanylmethyl]-4,5-dimethylcyclohexyl]methyl]phosphane
CID 87285036
1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
CID 130494691
adamantane;hydrate
CID 137498586
2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane
CID 123626592
2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol
CID 81413296
1,1-bis(2-adamantyl)ethylphosphane
CID 68580004
2-(2-methylbutan-2-yl)bicyclo[3.1.1]heptane
CID 123158926
2-(2-adamantylamino)-2-ethylpropane-1,3-diol
CID 103935710
N,N-diethyladamantan-2-amine
CID 14054651
2-adamantyl(triethyl)azanium
CID 14054655

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-bis(2-methylbutan-2-yl)phosphane?
The IUPAC name of 2-adamantyl-bis(2-methylbutan-2-yl)phosphane (CID 139972819) is 2-adamantyl-bis(2-methylbutan-2-yl)phosphane.
What is the SMILES notation for 2-adamantyl-bis(2-methylbutan-2-yl)phosphane?
The canonical SMILES for 2-adamantyl-bis(2-methylbutan-2-yl)phosphane is CCC(C)(C)P(C1C2CC3CC(C2)CC1C3)C(C)(C)CC.
What is the InChIKey of 2-adamantyl-bis(2-methylbutan-2-yl)phosphane?
The InChIKey is MPSIJMWGCXJXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37P/c1-7-19(3,4)21(20(5,6)8-2)18-16-10-14-9-15(12-16)13-17(18)11-14/h14-18H,7-13H2,1-6H3.
What are the key properties of 2-adamantyl-bis(2-methylbutan-2-yl)phosphane?
2-adamantyl-bis(2-methylbutan-2-yl)phosphane has a molecular weight of 308.49 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-bis(2-methylbutan-2-yl)phosphane is sourced from PubChem (CID 139972819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).