3-(diethoxyphosphorylmethoxy)propan-1-ol

C8H19O5P — CID 19993529

IUPAC3-(diethoxyphosphorylmethoxy)propan-1-ol
SMILESCCOP(=O)(COCCCO)OCC
InChIInChI=1S/C8H19O5P/c1-3-12-14(10,13-4-2)8-11-7-5-6-9/h9H,3-8H2,1-2H3
InChIKeyNCEOGLIRUOBCSS-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.61
Rot. Bonds9

About 3-(diethoxyphosphorylmethoxy)propan-1-ol

3-(diethoxyphosphorylmethoxy)propan-1-ol (PubChem CID 19993529) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethoxy)propan-1-ol.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethoxy)propan-1-ol
PubChem CID19993529
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name3-(diethoxyphosphorylmethoxy)propan-1-ol
SMILESCCOP(=O)(COCCCO)OCC
InChIInChI=1S/C8H19O5P/c1-3-12-14(10,13-4-2)8-11-7-5-6-9/h9H,3-8H2,1-2H3
InChIKeyNCEOGLIRUOBCSS-UHFFFAOYSA-N
XLogP1.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.61
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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Related Compounds

Diethyl P-(1-hydroxy-2-methylpropyl)phosphonate
CID 99750
Dibutyl (1-hydroxybutyl)phosphonate
CID 303486
4-Dibutoxyphosphoryloxybutan-2-ol
CID 187696
Butyl bis(3-hydroxybutyl) phosphate
CID 177195
Diethyl 1-hydroxybutylphosphonate
CID 519425
Diethyl (1-hydroxypropyl)phosphonate
CID 11019775
Diethyl (3-hydroxypropyl)phosphonate
CID 12594218
(1R)-1-dibutoxyphosphorylbutan-1-ol
CID 134965917
Diethyl (2-hydroxybutyl)phosphonate
CID 12530532
1-Diethoxyphosphoryl-2,2-dimethylpropan-1-ol
CID 12688725
Tris-(3-hydroxypropyl) phosphate
CID 18380904
1-Diethoxyphosphorylbutane-1,4-diol
CID 87674405

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxyphosphorylmethoxy)propan-1-ol?
The IUPAC name of 3-(diethoxyphosphorylmethoxy)propan-1-ol (CID 19993529) is 3-(diethoxyphosphorylmethoxy)propan-1-ol.
What is the SMILES notation for 3-(diethoxyphosphorylmethoxy)propan-1-ol?
The canonical SMILES for 3-(diethoxyphosphorylmethoxy)propan-1-ol is CCOP(=O)(COCCCO)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethoxy)propan-1-ol?
The InChIKey is NCEOGLIRUOBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-3-12-14(10,13-4-2)8-11-7-5-6-9/h9H,3-8H2,1-2H3.
What are the key properties of 3-(diethoxyphosphorylmethoxy)propan-1-ol?
3-(diethoxyphosphorylmethoxy)propan-1-ol has a molecular weight of 226.21 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethoxy)propan-1-ol is sourced from PubChem (CID 19993529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).