methyl 2-propoxyethyl hydrogen phosphate

C6H15O5P — CID 87066021

IUPACmethyl 2-propoxyethyl hydrogen phosphate
SMILESCCCOCCOP(=O)(O)OC
InChIInChI=1S/C6H15O5P/c1-3-4-10-5-6-11-12(7,8)9-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyDOLOTUPWDRBPPI-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.18
Rot. Bonds7

About methyl 2-propoxyethyl hydrogen phosphate

methyl 2-propoxyethyl hydrogen phosphate (PubChem CID 87066021) has the molecular formula C6H15O5P and a molecular weight of 198.15 g/mol. Its IUPAC name is methyl 2-propoxyethyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl 2-propoxyethyl hydrogen phosphate
PubChem CID87066021
Molecular FormulaC6H15O5P
Molecular Weight198.15 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-propoxyethyl hydrogen phosphate
SMILESCCCOCCOP(=O)(O)OC
InChIInChI=1S/C6H15O5P/c1-3-4-10-5-6-11-12(7,8)9-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyDOLOTUPWDRBPPI-UHFFFAOYSA-N
XLogP1.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
CID 129040767
methyl pentadecyl hydrogen phosphate
CID 175295583
methyl octyl hydrogen phosphate
CID 13032455
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
azane;methyl octyl hydrogen phosphate
CID 175087561
2-[2-[2-[2-[2-[2-[hydroxy(pentan-3-yloxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl propyl hydrogen phosphate
CID 134318658
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
1,3-bis(octadecanoylamino)propan-2-yl 2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 87267769
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249

Frequently Asked Questions

What is the IUPAC name of methyl 2-propoxyethyl hydrogen phosphate?
The IUPAC name of methyl 2-propoxyethyl hydrogen phosphate (CID 87066021) is methyl 2-propoxyethyl hydrogen phosphate.
What is the SMILES notation for methyl 2-propoxyethyl hydrogen phosphate?
The canonical SMILES for methyl 2-propoxyethyl hydrogen phosphate is CCCOCCOP(=O)(O)OC.
What is the InChIKey of methyl 2-propoxyethyl hydrogen phosphate?
The InChIKey is DOLOTUPWDRBPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O5P/c1-3-4-10-5-6-11-12(7,8)9-2/h3-6H2,1-2H3,(H,7,8).
What are the key properties of methyl 2-propoxyethyl hydrogen phosphate?
methyl 2-propoxyethyl hydrogen phosphate has a molecular weight of 198.15 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propoxyethyl hydrogen phosphate is sourced from PubChem (CID 87066021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).