1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one

C8H15O4P — CID 10465562

IUPAC1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one
SMILESCC(=O)CP1(=O)O[C@H](C)C[C@@H](C)O1
InChIInChI=1S/C8H15O4P/c1-6(9)5-13(10)11-7(2)4-8(3)12-13/h7-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyRSZLLJSSNWEYJA-HTQZYQBOSA-N
MW206.18 g/mol
LogP1.98
Rot. Bonds2

About 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one

1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one (PubChem CID 10465562) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one
PubChem CID10465562
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one
SMILESCC(=O)CP1(=O)O[C@H](C)C[C@@H](C)O1
InChIInChI=1S/C8H15O4P/c1-6(9)5-13(10)11-7(2)4-8(3)12-13/h7-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyRSZLLJSSNWEYJA-HTQZYQBOSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one with MolForge

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Related Compounds

2-fluoro-4,6-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 12729221
(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
CID 23420977
2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 58422993
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
4-[2-(diethylamino)-4-methyl-1,3,2λ5-dioxaphosphinan-2-ylidene]butan-2-one
CID 23263743
4-[(1R,2S)-2-methylcyclopropyl]butan-2-one
CID 45085231
1-[(1S,4R,6S)-4-methyl-3-oxabicyclo[4.1.0]heptan-6-yl]propan-2-one
CID 130892490
4-(3,5-dimethylcyclohexyl)pentan-2-one
CID 64729153
1-hydroxypropan-2-one;hexahydrate
CID 173077690
1-hydroxypropan-2-one;octahydrate
CID 173282716
butan-2-one;cyclohexane;propane
CID 90815721
[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate
CID 10846291

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one?
The IUPAC name of 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one (CID 10465562) is 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one?
The canonical SMILES for 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one is CC(=O)CP1(=O)O[C@H](C)C[C@@H](C)O1.
What is the InChIKey of 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one?
The InChIKey is RSZLLJSSNWEYJA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15O4P/c1-6(9)5-13(10)11-7(2)4-8(3)12-13/h7-8H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one?
1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one has a molecular weight of 206.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one is sourced from PubChem (CID 10465562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).