(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate

C10H19O7P — CID 71392975

IUPAC(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate
SMILESCOP(=O)(CC(C)C(OC(C)=O)OC(C)=O)OC
InChIInChI=1S/C10H19O7P/c1-7(6-18(13,14-4)15-5)10(16-8(2)11)17-9(3)12/h7,10H,6H2,1-5H3
InChIKeyJNZLEBVHGIEJGY-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.56
Rot. Bonds7

About (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate

(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate (PubChem CID 71392975) has the molecular formula C10H19O7P and a molecular weight of 282.23 g/mol. Its IUPAC name is (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate
PubChem CID71392975
Molecular FormulaC10H19O7P
Molecular Weight282.23 g/mol
Exact Mass282.09
IUPAC Name(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate
SMILESCOP(=O)(CC(C)C(OC(C)=O)OC(C)=O)OC
InChIInChI=1S/C10H19O7P/c1-7(6-18(13,14-4)15-5)10(16-8(2)11)17-9(3)12/h7,10H,6H2,1-5H3
InChIKeyJNZLEBVHGIEJGY-UHFFFAOYSA-N
XLogP1.56
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-dimethoxyphosphoryl-2-methylpropanoic acid
CID 88734508
4-dimethoxyphosphoryl-2-methoxycarbonyl-3-methylbutanoic acid
CID 19107770
[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
CID 10965753
1-dimethoxyphosphoryl-4-methylpentan-3-one
CID 72546240
[(2S)-1-dimethoxyphosphoryl-5-phenylpentan-2-yl] acetate
CID 101164851
(1-acetyloxy-6-hydroxy-2,6-dimethylheptyl) acetate
CID 135038679
3-dimethoxyphosphorylpropane-1,2-diol
CID 129239844
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
propane;propan-2-yl acetate
CID 23325886
2-acetyloxypropyl(197Hg)mercury-197;hydrate
CID 23724952
N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide
CID 54299779
1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
CID 21023155

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate?
The IUPAC name of (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate (CID 71392975) is (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate.
What is the SMILES notation for (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate?
The canonical SMILES for (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate is COP(=O)(CC(C)C(OC(C)=O)OC(C)=O)OC.
What is the InChIKey of (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate?
The InChIKey is JNZLEBVHGIEJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O7P/c1-7(6-18(13,14-4)15-5)10(16-8(2)11)17-9(3)12/h7,10H,6H2,1-5H3.
What are the key properties of (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate?
(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate has a molecular weight of 282.23 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate is sourced from PubChem (CID 71392975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).