1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol

C8H19O4P — CID 175439157

IUPAC1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol
SMILESCCCC(O)OP(=O)(CC)OCC
InChIInChI=1S/C8H19O4P/c1-4-7-8(9)12-13(10,6-3)11-5-2/h8-9H,4-7H2,1-3H3
InChIKeyHJYMANGCMZUNHJ-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.37
Rot. Bonds7

About 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol

1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol (PubChem CID 175439157) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol
PubChem CID175439157
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol
SMILESCCCC(O)OP(=O)(CC)OCC
InChIInChI=1S/C8H19O4P/c1-4-7-8(9)12-13(10,6-3)11-5-2/h8-9H,4-7H2,1-3H3
InChIKeyHJYMANGCMZUNHJ-UHFFFAOYSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(1-hydroxybutyl) phosphate
CID 88625136
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
diethyl 2-[ethoxy(ethyl)phosphoryl]oxybutanedioate
CID 88550121
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
1-diethoxyphosphoryldodecan-2-ol
CID 10448817
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
4-(diethoxyphosphorylmethyl)octane
CID 102507048
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
sodium diethoxyphosphorylmethanol
CID 22274944
1-[ethoxy(ethyl)phosphoryl]oxyheptane
CID 88847628
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol (CID 175439157) is 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol.
What is the SMILES notation for 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol?
The canonical SMILES for 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol is CCCC(O)OP(=O)(CC)OCC.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol?
The InChIKey is HJYMANGCMZUNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-4-7-8(9)12-13(10,6-3)11-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol?
1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol has a molecular weight of 210.21 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethyl)phosphoryl]oxybutan-1-ol is sourced from PubChem (CID 175439157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).