5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane

C20H28P2 — CID 163609509

IUPAC5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane
SMILESCC1CC2C(C)C1P2c1ccccc1P1C2CC(C)C1C2C
InChIInChI=1S/C20H28P2/c1-11-9-17-13(3)19(11)21(17)15-7-5-6-8-16(15)22-18-10-12(2)20(22)14(18)4/h5-8,11-14,17-20H,9-10H2,1-4H3
InChIKeyHERNBGBICZPYJL-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.75
Rot. Bonds2

About 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane

5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane (PubChem CID 163609509) has the molecular formula C20H28P2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane
PubChem CID163609509
Molecular FormulaC20H28P2
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane
SMILESCC1CC2C(C)C1P2c1ccccc1P1C2CC(C)C1C2C
InChIInChI=1S/C20H28P2/c1-11-9-17-13(3)19(11)21(17)15-7-5-6-8-16(15)22-18-10-12(2)20(22)14(18)4/h5-8,11-14,17-20H,9-10H2,1-4H3
InChIKeyHERNBGBICZPYJL-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.75
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 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane?
The IUPAC name of 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane (CID 163609509) is 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane.
What is the SMILES notation for 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane?
The canonical SMILES for 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane is CC1CC2C(C)C1P2c1ccccc1P1C2CC(C)C1C2C.
What is the InChIKey of 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane?
The InChIKey is HERNBGBICZPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28P2/c1-11-9-17-13(3)19(11)21(17)15-7-5-6-8-16(15)22-18-10-12(2)20(22)14(18)4/h5-8,11-14,17-20H,9-10H2,1-4H3.
What are the key properties of 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane?
5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane has a molecular weight of 330.39 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dimethyl-5-phosphabicyclo[2.1.1]hexan-5-yl)phenyl]-2,6-dimethyl-5-phosphabicyclo[2.1.1]hexane is sourced from PubChem (CID 163609509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).