1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane

C25H43P — CID 122694035

IUPAC1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane
SMILESCCCCP(C12CC3CC(CC(C3)C1)C2)C1(CC)CC2CCC[C@H](C2)C1
InChIInChI=1S/C25H43P/c1-3-5-9-26(24(4-2)14-19-7-6-8-20(10-19)15-24)25-16-21-11-22(17-25)13-23(12-21)18-25/h19-23H,3-18H2,1-2H3/t19-,20?,21?,22?,23?,24?,25?,26?/m1/s1
InChIKeyBKIMVQMMESPEMD-HWFZJDDESA-N
MW374.59 g/mol
LogP7.99
Rot. Bonds6

About 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane

1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane (PubChem CID 122694035) has the molecular formula C25H43P and a molecular weight of 374.59 g/mol. Its IUPAC name is 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane.

Molecular Properties

Compound Name1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane
PubChem CID122694035
Molecular FormulaC25H43P
Molecular Weight374.59 g/mol
Exact Mass374.31
IUPAC Name1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane
SMILESCCCCP(C12CC3CC(CC(C3)C1)C2)C1(CC)CC2CCC[C@H](C2)C1
InChIInChI=1S/C25H43P/c1-3-5-9-26(24(4-2)14-19-7-6-8-20(10-19)15-24)25-16-21-11-22(17-25)13-23(12-21)18-25/h19-23H,3-18H2,1-2H3/t19-,20?,21?,22?,23?,24?,25?,26?/m1/s1
InChIKeyBKIMVQMMESPEMD-HWFZJDDESA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 57.99
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(1-adamantyl)-butylphosphane;hydrobromide
CID 153370159
butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane
CID 170235204
acetonitrile;bis(bis(1-adamantyl)-butylphosphane);palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
CID 174104461
dibutyl(cyclobutyloxy)phosphane
CID 69053196
1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane
CID 23105437
adamantane;hexane
CID 157109132
nickel;bis(tributylphosphane)
CID 50940317
bis(1-adamantyl)-[(3,4-dimethylcyclohexyl)methyl]phosphane
CID 68743220
bicyclo[2.2.1]heptane;heptane
CID 161465006
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
bis(1-adamantyl)-prop-2-enylphosphane
CID 11633204
1-hexyladamantane
CID 585171

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane?
The IUPAC name of 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane (CID 122694035) is 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane.
What is the SMILES notation for 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane?
The canonical SMILES for 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane is CCCCP(C12CC3CC(CC(C3)C1)C2)C1(CC)CC2CCC[C@H](C2)C1.
What is the InChIKey of 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane?
The InChIKey is BKIMVQMMESPEMD-HWFZJDDESA-N. The full InChI is InChI=1S/C25H43P/c1-3-5-9-26(24(4-2)14-19-7-6-8-20(10-19)15-24)25-16-21-11-22(17-25)13-23(12-21)18-25/h19-23H,3-18H2,1-2H3/t19-,20?,21?,22?,23?,24?,25?,26?/m1/s1.
What are the key properties of 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane?
1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane has a molecular weight of 374.59 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane is sourced from PubChem (CID 122694035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).