diethyl 3-hydroxypropyl phosphate

C7H17O5P — CID 14840642

IUPACdiethyl 3-hydroxypropyl phosphate
SMILESCCOP(=O)(OCC)OCCCO
InChIInChI=1S/C7H17O5P/c1-3-10-13(9,11-4-2)12-7-5-6-8/h8H,3-7H2,1-2H3
InChIKeyONSOHKIBKSZZSX-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.57
Rot. Bonds8

About diethyl 3-hydroxypropyl phosphate

diethyl 3-hydroxypropyl phosphate (PubChem CID 14840642) has the molecular formula C7H17O5P and a molecular weight of 212.18 g/mol. Its IUPAC name is diethyl 3-hydroxypropyl phosphate.

Molecular Properties

Compound Namediethyl 3-hydroxypropyl phosphate
PubChem CID14840642
Molecular FormulaC7H17O5P
Molecular Weight212.18 g/mol
Exact Mass212.08
IUPAC Namediethyl 3-hydroxypropyl phosphate
SMILESCCOP(=O)(OCC)OCCCO
InChIInChI=1S/C7H17O5P/c1-3-10-13(9,11-4-2)12-7-5-6-8/h8H,3-7H2,1-2H3
InChIKeyONSOHKIBKSZZSX-UHFFFAOYSA-N
XLogP1.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-hydroxypropyl phosphate?
The IUPAC name of diethyl 3-hydroxypropyl phosphate (CID 14840642) is diethyl 3-hydroxypropyl phosphate.
What is the SMILES notation for diethyl 3-hydroxypropyl phosphate?
The canonical SMILES for diethyl 3-hydroxypropyl phosphate is CCOP(=O)(OCC)OCCCO.
What is the InChIKey of diethyl 3-hydroxypropyl phosphate?
The InChIKey is ONSOHKIBKSZZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O5P/c1-3-10-13(9,11-4-2)12-7-5-6-8/h8H,3-7H2,1-2H3.
What are the key properties of diethyl 3-hydroxypropyl phosphate?
diethyl 3-hydroxypropyl phosphate has a molecular weight of 212.18 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-hydroxypropyl phosphate is sourced from PubChem (CID 14840642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).