ethoxyperoxyethane;phosphane

C4H13O3P — CID 174988204

IUPACethoxyperoxyethane;phosphane
SMILESCCOOOCC.P
InChIInChI=1S/C4H10O3.H3P/c1-3-5-7-6-4-2;/h3-4H2,1-2H3;1H3
InChIKeyPFEGYFXNUHYDOC-UHFFFAOYSA-N
MW140.12 g/mol
LogP0.96
Rot. Bonds4

About ethoxyperoxyethane;phosphane

ethoxyperoxyethane;phosphane (PubChem CID 174988204) has the molecular formula C4H13O3P and a molecular weight of 140.12 g/mol. Its IUPAC name is ethoxyperoxyethane;phosphane.

Molecular Properties

Compound Nameethoxyperoxyethane;phosphane
PubChem CID174988204
Molecular FormulaC4H13O3P
Molecular Weight140.12 g/mol
Exact Mass140.06
IUPAC Nameethoxyperoxyethane;phosphane
SMILESCCOOOCC.P
InChIInChI=1S/C4H10O3.H3P/c1-3-5-7-6-4-2;/h3-4H2,1-2H3;1H3
InChIKeyPFEGYFXNUHYDOC-UHFFFAOYSA-N
XLogP0.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;ethoxyperoxyethane;sulfuric acid
CID 175377897
CID 173381512
CID 173381512
ethoxyperoxyethane;propane-1,2-diol
CID 87183178
methoxyperoxyperoxyperoxyethane
CID 89243082
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyethane
CID 89194899
1-ethoxyperoxyethane-1,1-diol
CID 87123347
methylperoxyethane;niobium
CID 139791519
ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
CID 175390899
3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane
CID 174798806
1,2-diethoxyethane;hydrofluoride
CID 175535770
N-ethylperoxymethanimine
CID 174443924
methanol;tetraethoxy silicate
CID 131718397

Frequently Asked Questions

What is the IUPAC name of ethoxyperoxyethane;phosphane?
The IUPAC name of ethoxyperoxyethane;phosphane (CID 174988204) is ethoxyperoxyethane;phosphane.
What is the SMILES notation for ethoxyperoxyethane;phosphane?
The canonical SMILES for ethoxyperoxyethane;phosphane is CCOOOCC.P.
What is the InChIKey of ethoxyperoxyethane;phosphane?
The InChIKey is PFEGYFXNUHYDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.H3P/c1-3-5-7-6-4-2;/h3-4H2,1-2H3;1H3.
What are the key properties of ethoxyperoxyethane;phosphane?
ethoxyperoxyethane;phosphane has a molecular weight of 140.12 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyperoxyethane;phosphane is sourced from PubChem (CID 174988204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).