ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium

C11H26O2P+ — CID 23418603

IUPACethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
SMILESCC[P+](C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H26O2P/c1-9-14(8,12-10(2,3)4)13-11(5,6)7/h9H2,1-8H3/q+1
InChIKeyLKCNOWWEHLLZNZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.11
Rot. Bonds3

About ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium

ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium (PubChem CID 23418603) has the molecular formula C11H26O2P+ and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium.

Molecular Properties

Compound Nameethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
PubChem CID23418603
Molecular FormulaC11H26O2P+
Molecular Weight221.30 g/mol
Exact Mass221.17
IUPAC Nameethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
SMILESCC[P+](C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H26O2P/c1-9-14(8,12-10(2,3)4)13-11(5,6)7/h9H2,1-8H3/q+1
InChIKeyLKCNOWWEHLLZNZ-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.11
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

2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
2-chloro-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 59446359
2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
CID 87588712
1-chloro-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 88885874
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945
(3S)-3-[(2-methylpropan-2-yl)oxy]pent-1-yne
CID 134890457
3-methylpentan-2-ol;3-methylpentan-3-ol
CID 158561904
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2,2,2-trichloro-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 71350127
2,2,3,4,5-pentamethylheptane
CID 53428630
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium?
The IUPAC name of ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium (CID 23418603) is ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium.
What is the SMILES notation for ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium?
The canonical SMILES for ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium is CC[P+](C)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium?
The InChIKey is LKCNOWWEHLLZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O2P/c1-9-14(8,12-10(2,3)4)13-11(5,6)7/h9H2,1-8H3/q+1.
What are the key properties of ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium?
ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium has a molecular weight of 221.30 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium is sourced from PubChem (CID 23418603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).