2-propoxyethyl dihydrogen phosphate

C5H13O5P — CID 23621600

IUPAC2-propoxyethyl dihydrogen phosphate
SMILESCCCOCCOP(=O)(O)O
InChIInChI=1S/C5H13O5P/c1-2-3-9-4-5-10-11(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKeyQRTWWXDCTZNVLD-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.52
Rot. Bonds6

About 2-propoxyethyl dihydrogen phosphate

2-propoxyethyl dihydrogen phosphate (PubChem CID 23621600) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is 2-propoxyethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-propoxyethyl dihydrogen phosphate
PubChem CID23621600
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name2-propoxyethyl dihydrogen phosphate
SMILESCCCOCCOP(=O)(O)O
InChIInChI=1S/C5H13O5P/c1-2-3-9-4-5-10-11(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKeyQRTWWXDCTZNVLD-UHFFFAOYSA-N
XLogP0.52
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Ethanol, 2-butoxy-, 1,1'-(hydrogen phosphate)
CID 84299
Dipropyl phosphate
CID 74544
2-Butoxyethyl phosphate
CID 62009
Ethanol, 2-(2-butoxyethoxy)-, phosphate
CID 173028
Ethanol, 2-propoxy-, phosphate (3:1)
CID 45451
ethanol, 2-butoxy-, phosphate, sodium salt
CID 175024
ethanol, 2-(2-ethoxyethoxy)-, phosphate, sodium salt
CID 44153818
Ethyl 2-methoxyethyl methylphosphonate
CID 547072
Phosphoric acid, diethyl 2-(ethoxy)ethyl ester
CID 3052884
Ethanol, 2-(2-ethoxyethoxy)-, phosphate
CID 20026930
2-(2-Ethoxyethoxy)ethyl dihydrogen phosphate
CID 110532
Phosphoric acid, butyl 2-ethoxyethyl ester
CID 109689

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl dihydrogen phosphate?
The IUPAC name of 2-propoxyethyl dihydrogen phosphate (CID 23621600) is 2-propoxyethyl dihydrogen phosphate.
What is the SMILES notation for 2-propoxyethyl dihydrogen phosphate?
The canonical SMILES for 2-propoxyethyl dihydrogen phosphate is CCCOCCOP(=O)(O)O.
What is the InChIKey of 2-propoxyethyl dihydrogen phosphate?
The InChIKey is QRTWWXDCTZNVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-2-3-9-4-5-10-11(6,7)8/h2-5H2,1H3,(H2,6,7,8).
What are the key properties of 2-propoxyethyl dihydrogen phosphate?
2-propoxyethyl dihydrogen phosphate has a molecular weight of 184.13 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl dihydrogen phosphate is sourced from PubChem (CID 23621600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).