1-[ethyl(trioxidanyl)phosphoryl]ethane

C4H11O4P — CID 89425498

IUPAC1-[ethyl(trioxidanyl)phosphoryl]ethane
SMILESCCP(=O)(CC)OOO
InChIInChI=1S/C4H11O4P/c1-3-9(6,4-2)8-7-5/h5H,3-4H2,1-2H3
InChIKeyQCMNHZGYGQQWPI-UHFFFAOYSA-N
MW154.10 g/mol
LogP1.73
Rot. Bonds4

About 1-[ethyl(trioxidanyl)phosphoryl]ethane

1-[ethyl(trioxidanyl)phosphoryl]ethane (PubChem CID 89425498) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is 1-[ethyl(trioxidanyl)phosphoryl]ethane.

Molecular Properties

Compound Name1-[ethyl(trioxidanyl)phosphoryl]ethane
PubChem CID89425498
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Name1-[ethyl(trioxidanyl)phosphoryl]ethane
SMILESCCP(=O)(CC)OOO
InChIInChI=1S/C4H11O4P/c1-3-9(6,4-2)8-7-5/h5H,3-4H2,1-2H3
InChIKeyQCMNHZGYGQQWPI-UHFFFAOYSA-N
XLogP1.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[ethyl(trioxidanyl)phosphoryl]ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[ethoxy(ethyl)phosphoryl]methanol
CID 129384384
di(hexan-3-yl)phosphinic acid
CID 141467079
ethyl(hydroperoxy)phosphinic acid
CID 54175112
1,3-bis(diethylphosphoryloxy)propane
CID 23081880
ethyl(hydroperoxy)phosphinic acid;rhenium
CID 174770512
diethylphosphoryl butanoate
CID 19107766
2-diethylphosphoryloxypropan-1-ol
CID 137435698
1-[ethyl(methoxy)phosphoryl]propan-2-one
CID 87463185
[phosphoroso(trioxidanyl)phosphoryl]methane
CID 58729656
2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol
CID 141259737
diethylphosphinic acid
CID 123698390
ethylphosphonic acid;phosphoric acid
CID 87124135

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(trioxidanyl)phosphoryl]ethane?
The IUPAC name of 1-[ethyl(trioxidanyl)phosphoryl]ethane (CID 89425498) is 1-[ethyl(trioxidanyl)phosphoryl]ethane.
What is the SMILES notation for 1-[ethyl(trioxidanyl)phosphoryl]ethane?
The canonical SMILES for 1-[ethyl(trioxidanyl)phosphoryl]ethane is CCP(=O)(CC)OOO.
What is the InChIKey of 1-[ethyl(trioxidanyl)phosphoryl]ethane?
The InChIKey is QCMNHZGYGQQWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P/c1-3-9(6,4-2)8-7-5/h5H,3-4H2,1-2H3.
What are the key properties of 1-[ethyl(trioxidanyl)phosphoryl]ethane?
1-[ethyl(trioxidanyl)phosphoryl]ethane has a molecular weight of 154.10 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(trioxidanyl)phosphoryl]ethane is sourced from PubChem (CID 89425498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).