[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium

C7H16O2P+ — CID 52947808

IUPAC[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium
SMILESC[C@@H](O[P+](C)=O)C(C)(C)C
InChIInChI=1S/C7H16O2P/c1-6(7(2,3)4)9-10(5)8/h6H,1-5H3/q+1/t6-/m1/s1
InChIKeyAYQIEWWYFGQKPK-ZCFIWIBFSA-N
MW163.18 g/mol
LogP2.81
Rot. Bonds2

About [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium

[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium (PubChem CID 52947808) has the molecular formula C7H16O2P+ and a molecular weight of 163.18 g/mol. Its IUPAC name is [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium.

Molecular Properties

Compound Name[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium
PubChem CID52947808
Molecular FormulaC7H16O2P+
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium
SMILESC[C@@H](O[P+](C)=O)C(C)(C)C
InChIInChI=1S/C7H16O2P/c1-6(7(2,3)4)9-10(5)8/h6H,1-5H3/q+1/t6-/m1/s1
InChIKeyAYQIEWWYFGQKPK-ZCFIWIBFSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

fluoro-methoxy-oxophosphanium;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 87088573
bis(3,3-dimethylbutan-2-yl) pentanedioate
CID 87993219
3,3-dimethylbutan-2-yloxycarbonyl acetate
CID 12601439
[1-(3,3-dimethylbutan-2-yloxy)-1-oxopropan-2-yl] 2-methylpropanoate
CID 157440334
[(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 163136848
(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 129373323
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
2,3-dimethyl(213C)butan-2-ol
CID 100985919
hydroperoxy-methyl-oxophosphanium
CID 18335943
[(2R)-3,3-dimethylbutan-2-yl] 4-hydroxy-3,3-bis(hydroxymethyl)butanoate
CID 161294071
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
CID 168729792
[(tert-butylamino)-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium
CID 172813391

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium?
The IUPAC name of [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium (CID 52947808) is [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium.
What is the SMILES notation for [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium?
The canonical SMILES for [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium is C[C@@H](O[P+](C)=O)C(C)(C)C.
What is the InChIKey of [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium?
The InChIKey is AYQIEWWYFGQKPK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16O2P/c1-6(7(2,3)4)9-10(5)8/h6H,1-5H3/q+1/t6-/m1/s1.
What are the key properties of [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium?
[(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium has a molecular weight of 163.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium is sourced from PubChem (CID 52947808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).