1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane

C11H25O3PSe — CID 15094862

IUPAC1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane
SMILESC[Se]P(=O)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C11H25O3PSe/c1-10(2,3)8-13-15(12,16-7)14-9-11(4,5)6/h8-9H2,1-7H3
InChIKeyLPKYLOHHVOJKOY-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.97
Rot. Bonds5

About 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane

1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane (PubChem CID 15094862) has the molecular formula C11H25O3PSe and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane
PubChem CID15094862
Molecular FormulaC11H25O3PSe
Molecular Weight315.25 g/mol
Exact Mass316.07
IUPAC Name1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane
SMILESC[Se]P(=O)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C11H25O3PSe/c1-10(2,3)8-13-15(12,16-7)14-9-11(4,5)6/h8-9H2,1-7H3
InChIKeyLPKYLOHHVOJKOY-UHFFFAOYSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
CID 14898577
1-[bis(2,2-dimethylpropoxy)phosphoryl]propan-1-one
CID 23002160
1-[bis(2,2-dimethylpropoxy)phosphoryl]-2-methylpropan-1-one
CID 23002211
bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)
CID 159940228
1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane
CID 146414933
2,2-dimethylpropoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 59024930
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
CID 87720487
[2,2-dimethylpropanoyloxymethoxy(2,2-dimethylpropoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 139390399
tert-butyl 2,2-dimethylpropyl phosphate;ditert-butyl phosphate;bis(2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane)
CID 159361184
1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-methylpiperazine
CID 66678116

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane?
The IUPAC name of 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane (CID 15094862) is 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane.
What is the SMILES notation for 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane?
The canonical SMILES for 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane is C[Se]P(=O)(OCC(C)(C)C)OCC(C)(C)C.
What is the InChIKey of 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane?
The InChIKey is LPKYLOHHVOJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3PSe/c1-10(2,3)8-13-15(12,16-7)14-9-11(4,5)6/h8-9H2,1-7H3.
What are the key properties of 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane?
1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane has a molecular weight of 315.25 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane is sourced from PubChem (CID 15094862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).