1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane

C11H25O4P — CID 21027105

IUPAC1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
SMILESCCOP(=O)(CCOCC(C)(C)C)OCC
InChIInChI=1S/C11H25O4P/c1-6-14-16(12,15-7-2)9-8-13-10-11(3,4)5/h6-10H2,1-5H3
InChIKeyQAVKGBLRTRSADD-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.32
Rot. Bonds8

About 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane

1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane (PubChem CID 21027105) has the molecular formula C11H25O4P and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
PubChem CID21027105
Molecular FormulaC11H25O4P
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
SMILESCCOP(=O)(CCOCC(C)(C)C)OCC
InChIInChI=1S/C11H25O4P/c1-6-14-16(12,15-7-2)9-8-13-10-11(3,4)5/h6-10H2,1-5H3
InChIKeyQAVKGBLRTRSADD-UHFFFAOYSA-N
XLogP3.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-diethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
CID 88949671
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033
1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane
CID 86667775
3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
CID 130320253
1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
CID 14898577
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
CID 71365690
2-(2-diethoxyphosphorylethylsulfanyl)-2-methylpropane
CID 71385662
1-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
CID 138597163

Frequently Asked Questions

What is the IUPAC name of 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane?
The IUPAC name of 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane (CID 21027105) is 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane?
The canonical SMILES for 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane is CCOP(=O)(CCOCC(C)(C)C)OCC.
What is the InChIKey of 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane?
The InChIKey is QAVKGBLRTRSADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P/c1-6-14-16(12,15-7-2)9-8-13-10-11(3,4)5/h6-10H2,1-5H3.
What are the key properties of 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane?
1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane has a molecular weight of 252.29 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane is sourced from PubChem (CID 21027105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).