3-ethoxypropoxyphosphane

C5H13O2P — CID 57317096

IUPAC3-ethoxypropoxyphosphane
SMILESCCOCCCOP
InChIInChI=1S/C5H13O2P/c1-2-6-4-3-5-7-8/h2-5,8H2,1H3
InChIKeyNHRLLXBQVLXSTK-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.22
Rot. Bonds5

About 3-ethoxypropoxyphosphane

3-ethoxypropoxyphosphane (PubChem CID 57317096) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is 3-ethoxypropoxyphosphane.

Molecular Properties

Compound Name3-ethoxypropoxyphosphane
PubChem CID57317096
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name3-ethoxypropoxyphosphane
SMILESCCOCCCOP
InChIInChI=1S/C5H13O2P/c1-2-6-4-3-5-7-8/h2-5,8H2,1H3
InChIKeyNHRLLXBQVLXSTK-UHFFFAOYSA-N
XLogP1.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxypropoxyphosphane 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

2-ethoxyethoxyphosphane
CID 153435180
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
CID 165051795
ethane;1-ethoxybutane
CID 143206406
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-(3-ethoxypropylperoxy)butane
CID 154387522
1-(3-ethoxypropoxy)tetradecane
CID 91693148
pentakis(3-ethoxypropoxy)-λ5-stibane
CID 139727092
tris(3-ethoxypropyl) phosphite
CID 54497287
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917
pentoxyphosphane;trihydrate
CID 172746839
1,2-diethoxyethane;hydrofluoride
CID 175535770
1-(3-ethoxypropoxy)-4-methanidyloxybutane;yttrium
CID 59660846

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropoxyphosphane?
The IUPAC name of 3-ethoxypropoxyphosphane (CID 57317096) is 3-ethoxypropoxyphosphane.
What is the SMILES notation for 3-ethoxypropoxyphosphane?
The canonical SMILES for 3-ethoxypropoxyphosphane is CCOCCCOP.
What is the InChIKey of 3-ethoxypropoxyphosphane?
The InChIKey is NHRLLXBQVLXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-2-6-4-3-5-7-8/h2-5,8H2,1H3.
What are the key properties of 3-ethoxypropoxyphosphane?
3-ethoxypropoxyphosphane has a molecular weight of 136.13 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropoxyphosphane is sourced from PubChem (CID 57317096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).