tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium

C14H30O3P+ — CID 123205024

IUPACtert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium
SMILESCC(C)CC(C)(C)OCC(C)O[P+](=O)C(C)(C)C
InChIInChI=1S/C14H30O3P/c1-11(2)9-14(7,8)16-10-12(3)17-18(15)13(4,5)6/h11-12H,9-10H2,1-8H3/q+1
InChIKeyQCUHWWUSBWCJBF-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.77
Rot. Bonds7

About tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium

tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium (PubChem CID 123205024) has the molecular formula C14H30O3P+ and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium.

Molecular Properties

Compound Nametert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium
PubChem CID123205024
Molecular FormulaC14H30O3P+
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Nametert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium
SMILESCC(C)CC(C)(C)OCC(C)O[P+](=O)C(C)(C)C
InChIInChI=1S/C14H30O3P/c1-11(2)9-14(7,8)16-10-12(3)17-18(15)13(4,5)6/h11-12H,9-10H2,1-8H3/q+1
InChIKeyQCUHWWUSBWCJBF-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.77
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

(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine
CID 166829521
1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol
CID 170705015
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
2,4-dimethylpentan-2-yloxy(propan-2-yl)phosphinous acid
CID 178061961
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444
[3-[2-[tert-butyl-(cyclobutylamino)phosphoryl]oxypropoxy]-2,3-dimethylbutan-2-yl]-[1-[3-[chloro-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]phosphoryl]-2,3-dimethylbutan-2-yl]oxypropan-2-yloxy]-oxophosphanium
CID 123865746
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
2,4-dimethylpentan-2-yl 2-methylbutanoate
CID 121443885
3-(2,4-dimethylpentan-2-yloxy)-3-oxopropanoic acid
CID 162355559
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686
2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
CID 114991026

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium?
The IUPAC name of tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium (CID 123205024) is tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium.
What is the SMILES notation for tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium?
The canonical SMILES for tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium is CC(C)CC(C)(C)OCC(C)O[P+](=O)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium?
The InChIKey is QCUHWWUSBWCJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3P/c1-11(2)9-14(7,8)16-10-12(3)17-18(15)13(4,5)6/h11-12H,9-10H2,1-8H3/q+1.
What are the key properties of tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium?
tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium has a molecular weight of 277.37 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium is sourced from PubChem (CID 123205024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).