7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane

C18H27P — CID 22459987

IUPAC7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane
SMILESCC(C)C1CC2C(C(C)C)CC1P2c1ccccc1
InChIInChI=1S/C18H27P/c1-12(2)15-10-18-16(13(3)4)11-17(15)19(18)14-8-6-5-7-9-14/h5-9,12-13,15-18H,10-11H2,1-4H3
InChIKeyORTAVBUVZUJDTB-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.88
Rot. Bonds3

About 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane

7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane (PubChem CID 22459987) has the molecular formula C18H27P and a molecular weight of 274.39 g/mol. Its IUPAC name is 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane
PubChem CID22459987
Molecular FormulaC18H27P
Molecular Weight274.39 g/mol
Exact Mass274.19
IUPAC Name7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane
SMILESCC(C)C1CC2C(C(C)C)CC1P2c1ccccc1
InChIInChI=1S/C18H27P/c1-12(2)15-10-18-16(13(3)4)11-17(15)19(18)14-8-6-5-7-9-14/h5-9,12-13,15-18H,10-11H2,1-4H3
InChIKeyORTAVBUVZUJDTB-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.88
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 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane?
The IUPAC name of 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane (CID 22459987) is 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane?
The canonical SMILES for 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane is CC(C)C1CC2C(C(C)C)CC1P2c1ccccc1.
What is the InChIKey of 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane?
The InChIKey is ORTAVBUVZUJDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27P/c1-12(2)15-10-18-16(13(3)4)11-17(15)19(18)14-8-6-5-7-9-14/h5-9,12-13,15-18H,10-11H2,1-4H3.
What are the key properties of 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane?
7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane has a molecular weight of 274.39 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,5-di(propan-2-yl)-7-phosphabicyclo[2.2.1]heptane is sourced from PubChem (CID 22459987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).