2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium

C12H26O3P+ — CID 123372545

IUPAC2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium
SMILESCC(C)(C)OCCC(C)(C)OC(C)(C)[PH+]=O
InChIInChI=1S/C12H25O3P/c1-10(2,3)14-9-8-11(4,5)15-12(6,7)16-13/h8-9H2,1-7H3/p+1
InChIKeyWJFWNPQLEQSBHX-UHFFFAOYSA-O
MW249.31 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium

2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium (PubChem CID 123372545) has the molecular formula C12H26O3P+ and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium.

Molecular Properties

Compound Name2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium
PubChem CID123372545
Molecular FormulaC12H26O3P+
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium
SMILESCC(C)(C)OCCC(C)(C)OC(C)(C)[PH+]=O
InChIInChI=1S/C12H25O3P/c1-10(2,3)14-9-8-11(4,5)15-12(6,7)16-13/h8-9H2,1-7H3/p+1
InChIKeyWJFWNPQLEQSBHX-UHFFFAOYSA-O
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
CID 155178401
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite
CID 146548952
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 88535293
2,2,4,4,5,5,6-heptamethyl-6-[3-methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]heptan-3-one
CID 155468443
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl 2-aminoprop-2-enoate
CID 163636275
3-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethylsulfanyl]propanoic acid
CID 155228839
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium?
The IUPAC name of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium (CID 123372545) is 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium.
What is the SMILES notation for 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium?
The canonical SMILES for 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium is CC(C)(C)OCCC(C)(C)OC(C)(C)[PH+]=O.
What is the InChIKey of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium?
The InChIKey is WJFWNPQLEQSBHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25O3P/c1-10(2,3)14-9-8-11(4,5)15-12(6,7)16-13/h8-9H2,1-7H3/p+1.
What are the key properties of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium?
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium has a molecular weight of 249.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium is sourced from PubChem (CID 123372545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).