4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium

C10H22O3P+ — CID 23416973

IUPAC4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium
SMILESCC(C)(C)O[PH+]1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H22O3P/c1-8(2,3)11-14-12-9(4,5)10(6,7)13-14/h14H,1-7H3/q+1
InChIKeyUAPUNCFJDWFUOK-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.36
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium

4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium (PubChem CID 23416973) has the molecular formula C10H22O3P+ and a molecular weight of 221.26 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium
PubChem CID23416973
Molecular FormulaC10H22O3P+
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium
SMILESCC(C)(C)O[PH+]1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H22O3P/c1-8(2,3)11-14-12-9(4,5)10(6,7)13-14/h14H,1-7H3/q+1
InChIKeyUAPUNCFJDWFUOK-UHFFFAOYSA-N
XLogP3.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.36
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

sodium;2-tert-butylperoxy-2-methylpropane;hydride
CID 175059637
tert-butyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
CID 130058049
tert-butyl (E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
CID 131255472
2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
CID 123470902
2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 58961464
1-methyl-1-[(2-methylpropan-2-yl)oxy]cyclopropane
CID 59446338
2-tert-butyl-4,4,5,5-tetramethyl-1,3-oxazolidine
CID 102095389
tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate
CID 25023111
4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-5-[2-[4,5,5-trimethyl-2-(2-methylpropoxy)-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolane
CID 174086982
[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-dimethyl-[(2-methylpropan-2-yl)oxy]silane
CID 12729919
tert-butyl (4R)-2,2-dimethyl-4-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-1,3-oxazolidine-3-carboxylate
CID 10926675
trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 158452433

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium (CID 23416973) is 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium is CC(C)(C)O[PH+]1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium?
The InChIKey is UAPUNCFJDWFUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3P/c1-8(2,3)11-14-12-9(4,5)10(6,7)13-14/h14H,1-7H3/q+1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium?
4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium has a molecular weight of 221.26 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium is sourced from PubChem (CID 23416973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).