ditert-butyl-(2-methylcyclohexyl)phosphane

C15H31P — CID 59751517

IUPACditert-butyl-(2-methylcyclohexyl)phosphane
SMILESCC1CCCCC1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31P/c1-12-10-8-9-11-13(12)16(14(2,3)4)15(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyPNQYNLFUUZOEIJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP5.64
Rot. Bonds1

About ditert-butyl-(2-methylcyclohexyl)phosphane

ditert-butyl-(2-methylcyclohexyl)phosphane (PubChem CID 59751517) has the molecular formula C15H31P and a molecular weight of 242.39 g/mol. Its IUPAC name is ditert-butyl-(2-methylcyclohexyl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(2-methylcyclohexyl)phosphane
PubChem CID59751517
Molecular FormulaC15H31P
Molecular Weight242.39 g/mol
Exact Mass242.22
IUPAC Nameditert-butyl-(2-methylcyclohexyl)phosphane
SMILESCC1CCCCC1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31P/c1-12-10-8-9-11-13(12)16(14(2,3)4)15(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyPNQYNLFUUZOEIJ-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(2-methylcyclohexyl)phosphane?
The IUPAC name of ditert-butyl-(2-methylcyclohexyl)phosphane (CID 59751517) is ditert-butyl-(2-methylcyclohexyl)phosphane.
What is the SMILES notation for ditert-butyl-(2-methylcyclohexyl)phosphane?
The canonical SMILES for ditert-butyl-(2-methylcyclohexyl)phosphane is CC1CCCCC1P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-(2-methylcyclohexyl)phosphane?
The InChIKey is PNQYNLFUUZOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31P/c1-12-10-8-9-11-13(12)16(14(2,3)4)15(5,6)7/h12-13H,8-11H2,1-7H3.
What are the key properties of ditert-butyl-(2-methylcyclohexyl)phosphane?
ditert-butyl-(2-methylcyclohexyl)phosphane has a molecular weight of 242.39 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(2-methylcyclohexyl)phosphane is sourced from PubChem (CID 59751517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).