[2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate

C10H21O6P — CID 58331147

IUPAC[2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate
SMILESCCCOP(C)(=O)OCC(C)(O)COC(C)=O
InChIInChI=1S/C10H21O6P/c1-5-6-15-17(4,13)16-8-10(3,12)7-14-9(2)11/h12H,5-8H2,1-4H3
InChIKeyVQACEHFNHGIIAN-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.57
Rot. Bonds8

About [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate

[2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate (PubChem CID 58331147) has the molecular formula C10H21O6P and a molecular weight of 268.25 g/mol. Its IUPAC name is [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate
PubChem CID58331147
Molecular FormulaC10H21O6P
Molecular Weight268.25 g/mol
Exact Mass268.11
IUPAC Name[2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate
SMILESCCCOP(C)(=O)OCC(C)(O)COC(C)=O
InChIInChI=1S/C10H21O6P/c1-5-6-15-17(4,13)16-8-10(3,12)7-14-9(2)11/h12H,5-8H2,1-4H3
InChIKeyVQACEHFNHGIIAN-UHFFFAOYSA-N
XLogP1.57
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.57
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

1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
2-[2-[2-(2-acetyloxyethyldisulfanyl)ethoxy-methylphosphoryl]oxyethyldisulfanyl]ethyl acetate
CID 121315215
(2-methyl-2-propylpentyl) acetate
CID 89417633
2,2-dimethylpropyl acetate
CID 13552
propyl acetate;hydrate
CID 122690555
(2-ethyl-2-hydroxypentyl) acetate
CID 88749584
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one
CID 71386041
[2-(acetyloxymethyl)-2-hydroxybut-3-enyl] acetate
CID 59238442
(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate?
The IUPAC name of [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate (CID 58331147) is [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate.
What is the SMILES notation for [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate?
The canonical SMILES for [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate is CCCOP(C)(=O)OCC(C)(O)COC(C)=O.
What is the InChIKey of [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate?
The InChIKey is VQACEHFNHGIIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O6P/c1-5-6-15-17(4,13)16-8-10(3,12)7-14-9(2)11/h12H,5-8H2,1-4H3.
What are the key properties of [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate?
[2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate has a molecular weight of 268.25 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-methyl-3-[methyl(propoxy)phosphoryl]oxypropyl] acetate is sourced from PubChem (CID 58331147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).