1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate

C11H23O6P — CID 22954426

IUPAC1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate
SMILESCCCC(COP(=O)(OC)OCC)OC(=O)CC
InChIInChI=1S/C11H23O6P/c1-5-8-10(17-11(12)6-2)9-16-18(13,14-4)15-7-3/h10H,5-9H2,1-4H3
InChIKeyUBJIZKQCMOXUNL-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.92
Rot. Bonds10

About 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate

1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate (PubChem CID 22954426) has the molecular formula C11H23O6P and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate.

Molecular Properties

Compound Name1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate
PubChem CID22954426
Molecular FormulaC11H23O6P
Molecular Weight282.27 g/mol
Exact Mass282.12
IUPAC Name1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate
SMILESCCCC(COP(=O)(OC)OCC)OC(=O)CC
InChIInChI=1S/C11H23O6P/c1-5-8-10(17-11(12)6-2)9-16-18(13,14-4)15-7-3/h10H,5-9H2,1-4H3
InChIKeyUBJIZKQCMOXUNL-UHFFFAOYSA-N
XLogP2.92
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl 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

1-diethoxyphosphorylbutyl propanoate
CID 71393420
(3-dimethoxyphosphoryloxy-2-heptadecanoyloxypropyl) octadecanoate
CID 158292375
1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate
CID 164851657
[(2R)-3-[2-(dimethylamino)ethoxy-methoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
CID 89261482
2-[2,3-di(octadecanoyloxy)propoxy-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 123521812
[(2R)-3-[methoxy(propoxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
CID 158590041
1-phosphonooxypentan-2-yl 2-methylprop-2-enoate
CID 141037886
(4-hydroxy-2-propanoyloxybutyl) propanoate
CID 54419057
[2,3-di(octadecanoyloxy)propoxy-ethoxyphosphoryl]oxy-trimethylazanium
CID 87126565
[1-[methoxy-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phosphoryl]oxy-3-propanoyloxypropan-2-yl] 3-methylbutanoate
CID 137475744
octadecan-7-yl propanoate
CID 87732278
tetradecan-6-yl propanoate
CID 15483723

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate?
The IUPAC name of 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate (CID 22954426) is 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate.
What is the SMILES notation for 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate?
The canonical SMILES for 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate is CCCC(COP(=O)(OC)OCC)OC(=O)CC.
What is the InChIKey of 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate?
The InChIKey is UBJIZKQCMOXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O6P/c1-5-8-10(17-11(12)6-2)9-16-18(13,14-4)15-7-3/h10H,5-9H2,1-4H3.
What are the key properties of 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate?
1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate has a molecular weight of 282.27 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methoxy)phosphoryl]oxypentan-2-yl propanoate is sourced from PubChem (CID 22954426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).