[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate

C8H17O6P — CID 168729162

IUPAC[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate
SMILESCCC(=O)OCOP(=O)(O)OCC(C)C
InChIInChI=1S/C8H17O6P/c1-4-8(9)12-6-14-15(10,11)13-5-7(2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyHAQZZDHOVWFQFQ-UHFFFAOYSA-N
MW240.19 g/mol
LogP1.69
Rot. Bonds7

About [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate

[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate (PubChem CID 168729162) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate.

Molecular Properties

Compound Name[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate
PubChem CID168729162
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Name[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate
SMILESCCC(=O)OCOP(=O)(O)OCC(C)C
InChIInChI=1S/C8H17O6P/c1-4-8(9)12-6-14-15(10,11)13-5-7(2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyHAQZZDHOVWFQFQ-UHFFFAOYSA-N
XLogP1.69
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate
CID 59266682
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
CID 137319661
[2,2-dimethylpropoxy(hydroxy)phosphoryl]oxymethyl 3-methylbutanoate
CID 156628851
[(2R)-2-acetyloxy-3-[[(2R)-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropyl] propanoate;propane
CID 163183432
2-methylpropyl 3,4-di(propanoyloxy)butanoate
CID 139957342
[3-propanoyloxy-2-(propanoyloxymethoxy)propyl] propanoate
CID 10913266
3-[hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxy-2-(propanoylamino)propanoic acid
CID 165296817
1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate
CID 19753420
[(2R)-1-[[(2R)-3-[[(2R)-3-dodecanoyloxy-2-heptanoyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] octadecanoate
CID 163183473
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] undecanoate
CID 135393492
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-pentanoyloxy-3-propanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-2-yl] octadecanoate
CID 163410135
[(2-methylpropan-2-yl)oxy-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
CID 122697879

Frequently Asked Questions

What is the IUPAC name of [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate?
The IUPAC name of [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate (CID 168729162) is [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate.
What is the SMILES notation for [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate?
The canonical SMILES for [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate is CCC(=O)OCOP(=O)(O)OCC(C)C.
What is the InChIKey of [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate?
The InChIKey is HAQZZDHOVWFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O6P/c1-4-8(9)12-6-14-15(10,11)13-5-7(2)3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate?
[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate has a molecular weight of 240.19 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate is sourced from PubChem (CID 168729162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).