bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane

C36H62P2 — CID 90960480

IUPACbis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane
SMILESCC(C)(C)P(CC(C1CCCCC1)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)C(C)(C)C
InChIInChI=1S/C36H62P2/c1-33(2,3)37(34(4,5)6)24-32(31-10-8-7-9-11-31)38(35-18-25-12-26(19-35)14-27(13-25)20-35)36-21-28-15-29(22-36)17-30(16-28)23-36/h25-32H,7-24H2,1-6H3
InChIKeyKSJDLOSQPDLRRO-UHFFFAOYSA-N
MW556.84 g/mol
LogP11.43
Rot. Bonds6

About bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane

bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane (PubChem CID 90960480) has the molecular formula C36H62P2 and a molecular weight of 556.84 g/mol. Its IUPAC name is bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane.

Molecular Properties

Compound Namebis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane
PubChem CID90960480
Molecular FormulaC36H62P2
Molecular Weight556.84 g/mol
Exact Mass556.43
IUPAC Namebis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane
SMILESCC(C)(C)P(CC(C1CCCCC1)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)C(C)(C)C
InChIInChI=1S/C36H62P2/c1-33(2,3)37(34(4,5)6)24-32(31-10-8-7-9-11-31)38(35-18-25-12-26(19-35)14-27(13-25)20-35)36-21-28-15-29(22-36)17-30(16-28)23-36/h25-32H,7-24H2,1-6H3
InChIKeyKSJDLOSQPDLRRO-UHFFFAOYSA-N
XLogP11.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.84
LogP ≤ 511.43
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)-propan-2-ylphosphane
CID 12040497
bis(1-adamantyl)-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
CID 87284879
1-(1-cyclopentyl-2-methylpropyl)adamantane
CID 57073225
N-cyclohexyl-2-ditert-butylphosphanylacetamide
CID 59080050
N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008374
bis(1-adamantyl)-[[2-(ditert-butylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]methyl]phosphane
CID 157306654
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
CID 130039908
1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
CID 63416108
N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
1-cyclopentylethylcyclohexane
CID 57034702

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane?
The IUPAC name of bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane (CID 90960480) is bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane.
What is the SMILES notation for bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane?
The canonical SMILES for bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane is CC(C)(C)P(CC(C1CCCCC1)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)C(C)(C)C.
What is the InChIKey of bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane?
The InChIKey is KSJDLOSQPDLRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62P2/c1-33(2,3)37(34(4,5)6)24-32(31-10-8-7-9-11-31)38(35-18-25-12-26(19-35)14-27(13-25)20-35)36-21-28-15-29(22-36)17-30(16-28)23-36/h25-32H,7-24H2,1-6H3.
What are the key properties of bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane?
bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane has a molecular weight of 556.84 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-(1-cyclohexyl-2-ditert-butylphosphanylethyl)phosphane is sourced from PubChem (CID 90960480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).