dicyclohexyl-(4-propan-2-ylphenyl)phosphane

C21H33P — CID 71310799

IUPACdicyclohexyl-(4-propan-2-ylphenyl)phosphane
SMILESCC(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H33P/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-17,19-20H,3-12H2,1-2H3
InChIKeyNPDGEUFCMFKRER-UHFFFAOYSA-N
MW316.47 g/mol
LogP6.58
Rot. Bonds4

About dicyclohexyl-(4-propan-2-ylphenyl)phosphane

dicyclohexyl-(4-propan-2-ylphenyl)phosphane (PubChem CID 71310799) has the molecular formula C21H33P and a molecular weight of 316.47 g/mol. Its IUPAC name is dicyclohexyl-(4-propan-2-ylphenyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(4-propan-2-ylphenyl)phosphane
PubChem CID71310799
Molecular FormulaC21H33P
Molecular Weight316.47 g/mol
Exact Mass316.23
IUPAC Namedicyclohexyl-(4-propan-2-ylphenyl)phosphane
SMILESCC(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H33P/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-17,19-20H,3-12H2,1-2H3
InChIKeyNPDGEUFCMFKRER-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 56.58
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 dicyclohexyl-(4-propan-2-ylphenyl)phosphane?
The IUPAC name of dicyclohexyl-(4-propan-2-ylphenyl)phosphane (CID 71310799) is dicyclohexyl-(4-propan-2-ylphenyl)phosphane.
What is the SMILES notation for dicyclohexyl-(4-propan-2-ylphenyl)phosphane?
The canonical SMILES for dicyclohexyl-(4-propan-2-ylphenyl)phosphane is CC(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl-(4-propan-2-ylphenyl)phosphane?
The InChIKey is NPDGEUFCMFKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33P/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-17,19-20H,3-12H2,1-2H3.
What are the key properties of dicyclohexyl-(4-propan-2-ylphenyl)phosphane?
dicyclohexyl-(4-propan-2-ylphenyl)phosphane has a molecular weight of 316.47 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(4-propan-2-ylphenyl)phosphane is sourced from PubChem (CID 71310799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).