dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene

C36H54OP2 — CID 161477037

IUPACdicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene
SMILESO=P(c1ccccc1)(C1CCCCC1)C1CCCCC1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H27OP.C18H27P/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;1,4-5,10-11,17-18H,2-3,6-9,12-15H2
InChIKeyWDVUWWDAMOJJAP-UHFFFAOYSA-N
MW564.78 g/mol
LogP10.80
Rot. Bonds6

About dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene

dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene (PubChem CID 161477037) has the molecular formula C36H54OP2 and a molecular weight of 564.78 g/mol. Its IUPAC name is dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene.

Molecular Properties

Compound Namedicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene
PubChem CID161477037
Molecular FormulaC36H54OP2
Molecular Weight564.78 g/mol
Exact Mass564.36
IUPAC Namedicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene
SMILESO=P(c1ccccc1)(C1CCCCC1)C1CCCCC1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C18H27OP.C18H27P/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;1,4-5,10-11,17-18H,2-3,6-9,12-15H2
InChIKeyWDVUWWDAMOJJAP-UHFFFAOYSA-N
XLogP10.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.78
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(phenyl)phosphane;dicyclohexylphosphorylbenzene?
The IUPAC name of dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene (CID 161477037) is dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene.
What is the SMILES notation for dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene?
The canonical SMILES for dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene is O=P(c1ccccc1)(C1CCCCC1)C1CCCCC1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene?
The InChIKey is WDVUWWDAMOJJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27OP.C18H27P/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2;1,4-5,10-11,17-18H,2-3,6-9,12-15H2.
What are the key properties of dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene?
dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene has a molecular weight of 564.78 g/mol, XLogP of 10.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene is sourced from PubChem (CID 161477037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).