[3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate

C11H24NO5P — CID 143546080

IUPAC[3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate
SMILESC=P(O)(OCCN(C)C)OCC(C)COC(C)=O
InChIInChI=1S/C11H24NO5P/c1-10(8-15-11(2)13)9-17-18(5,14)16-7-6-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyPTNSRMOHIDDMIP-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.97
Rot. Bonds9

About [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate

[3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate (PubChem CID 143546080) has the molecular formula C11H24NO5P and a molecular weight of 281.29 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate
PubChem CID143546080
Molecular FormulaC11H24NO5P
Molecular Weight281.29 g/mol
Exact Mass281.14
IUPAC Name[3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate
SMILESC=P(O)(OCCN(C)C)OCC(C)COC(C)=O
InChIInChI=1S/C11H24NO5P/c1-10(8-15-11(2)13)9-17-18(5,14)16-7-6-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyPTNSRMOHIDDMIP-UHFFFAOYSA-N
XLogP0.97
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-3-[methyl-[methyl(oxido)amino]phosphoryl]oxypropyl] acetate
CID 163866587
[2-[[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxymethyl]-3-oxopropyl] acetate
CID 143546082
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
2-methylbutyl acetate
CID 90958828
methane;2-methylbutyl acetate
CID 160631044
2,5-dimethylhexyl acetate
CID 90020662
(2S)-3-acetyloxy-2-methylpropane-1-sulfonic acid
CID 10241774
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
[3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-[3-(dimethylamino)propanoyloxy]propyl] 3-(dimethylamino)propanoate
CID 174184623

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate?
The IUPAC name of [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate (CID 143546080) is [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate.
What is the SMILES notation for [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate?
The canonical SMILES for [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate is C=P(O)(OCCN(C)C)OCC(C)COC(C)=O.
What is the InChIKey of [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate?
The InChIKey is PTNSRMOHIDDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO5P/c1-10(8-15-11(2)13)9-17-18(5,14)16-7-6-12(3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate?
[3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate has a molecular weight of 281.29 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethoxy-hydroxy-methylidene-λ5-phosphanyl]oxy-2-methylpropyl] acetate is sourced from PubChem (CID 143546080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).