[(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane

C7H13O3P — CID 157113257

IUPAC[(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane
SMILES[2H]CC12CO[C@H](C(C)O1)[C@H]2OP
InChIInChI=1S/C7H13O3P/c1-4-5-6(10-11)7(2,9-4)3-8-5/h4-6H,3,11H2,1-2H3/t4?,5-,6-,7?/m1/s1/i2D
InChIKeyGDCOPDUSEWICMC-IFZOTTFQSA-N
MW177.16 g/mol
LogP0.74
Rot. Bonds2

About [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane

[(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane (PubChem CID 157113257) has the molecular formula C7H13O3P and a molecular weight of 177.16 g/mol. Its IUPAC name is [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane.

Molecular Properties

Compound Name[(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane
PubChem CID157113257
Molecular FormulaC7H13O3P
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Name[(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane
SMILES[2H]CC12CO[C@H](C(C)O1)[C@H]2OP
InChIInChI=1S/C7H13O3P/c1-4-5-6(10-11)7(2,9-4)3-8-5/h4-6H,3,11H2,1-2H3/t4?,5-,6-,7?/m1/s1/i2D
InChIKeyGDCOPDUSEWICMC-IFZOTTFQSA-N
XLogP0.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane?
The IUPAC name of [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane (CID 157113257) is [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane.
What is the SMILES notation for [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane?
The canonical SMILES for [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane is [2H]CC12CO[C@H](C(C)O1)[C@H]2OP.
What is the InChIKey of [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane?
The InChIKey is GDCOPDUSEWICMC-IFZOTTFQSA-N. The full InChI is InChI=1S/C7H13O3P/c1-4-5-6(10-11)7(2,9-4)3-8-5/h4-6H,3,11H2,1-2H3/t4?,5-,6-,7?/m1/s1/i2D.
What are the key properties of [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane?
[(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane has a molecular weight of 177.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,7R)-1-(deuteriomethyl)-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxyphosphane is sourced from PubChem (CID 157113257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).