[(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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Related Compounds

(1R,3R)-1,3,7-trimethyl-2,5-dioxabicyclo[2.2.1]heptane
CID 163539007
[(1S,3S,4R)-7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 90132874
(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium
CID 59687274
N-[[(1R,3S,4R)-3-benzyl-1-(deuteriomethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-methylphosphanyl]-N-propan-2-ylpropan-2-amine
CID 88935650
(1S,3S,4S,7S)-3-methyl-7-propan-2-yloxy-1-[(1R)-1-propan-2-yloxyethyl]-2,5-dioxabicyclo[2.2.1]heptane
CID 59380796
(1S,3S,4R)-3-methyl-7-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxymethyl]-2,5-dioxabicyclo[2.2.1]heptane
CID 174078821
CID 159070076
CID 159070076
CID 159070075
CID 159070075
[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite
CID 68717145
(1R,4R,5R,7S)-4,7-dimethyl-8-propan-2-yloxy-5-(propan-2-yloxymethyl)-2,6-dioxabicyclo[3.2.1]octane
CID 164948265
[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane
CID 166789825
[(3R,7S)-7-[hydroxy-[[(3R,7S)-3-methyl-7-propan-2-yloxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy]phosphoryl]oxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [(3R,7S)-3-methyl-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] hydrogen phosphate
CID 157113260

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).