(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

C4H8BrO3P — CID 23419061

IUPAC(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC[C@@H]1CCO[P@@](=O)(Br)O1
InChIInChI=1S/C4H8BrO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3/t4-,9+/m1/s1
InChIKeyQHUHXFJTJZVXTG-MOFOKWOHSA-N
MW214.98 g/mol
LogP2.31
Rot. Bonds

About (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 23419061) has the molecular formula C4H8BrO3P and a molecular weight of 214.98 g/mol. Its IUPAC name is (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID23419061
Molecular FormulaC4H8BrO3P
Molecular Weight214.98 g/mol
Exact Mass213.94
IUPAC Name(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC[C@@H]1CCO[P@@](=O)(Br)O1
InChIInChI=1S/C4H8BrO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3/t4-,9+/m1/s1
InChIKeyQHUHXFJTJZVXTG-MOFOKWOHSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.98
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 13204288
2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 58422993
[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite
CID 12654512
(2S,4S)-4-methyl-2-(trifluoromethylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416371
(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 23416384
4-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]oxetan-2-one
CID 20501260
N-[furan-2-yl-(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]-1,2,4-triazol-4-amine
CID 73135773
N-[(R)-(4-bromophenyl)-[(2S,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]-3,5-dichloroaniline
CID 40640755
4-[2-(diethylamino)-4-methyl-1,3,2λ5-dioxaphosphinan-2-ylidene]butan-2-one
CID 23263743
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
4-[(R)-(4-methylanilino)-[(2S,4R)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methyl]phenol
CID 28887382
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 23419061) is (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is C[C@@H]1CCO[P@@](=O)(Br)O1.
What is the InChIKey of (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is QHUHXFJTJZVXTG-MOFOKWOHSA-N. The full InChI is InChI=1S/C4H8BrO3P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3/t4-,9+/m1/s1.
What are the key properties of (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 214.98 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 23419061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).