ethoxy-oxo-(3-phosphonopropoxy)phosphanium

C5H13O6P2+ — CID 88773935

IUPACethoxy-oxo-(3-phosphonopropoxy)phosphanium
SMILESCCO[P+](=O)OCCCP(=O)(O)O
InChIInChI=1S/C5H12O6P2/c1-2-10-12(6)11-4-3-5-13(7,8)9/h2-5H2,1H3,(H-,7,8,9)/p+1
InChIKeyRFFPURJMDMHSPN-UHFFFAOYSA-O
MW231.10 g/mol
LogP1.26
Rot. Bonds7

About ethoxy-oxo-(3-phosphonopropoxy)phosphanium

ethoxy-oxo-(3-phosphonopropoxy)phosphanium (PubChem CID 88773935) has the molecular formula C5H13O6P2+ and a molecular weight of 231.10 g/mol. Its IUPAC name is ethoxy-oxo-(3-phosphonopropoxy)phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-(3-phosphonopropoxy)phosphanium
PubChem CID88773935
Molecular FormulaC5H13O6P2+
Molecular Weight231.10 g/mol
Exact Mass231.02
IUPAC Nameethoxy-oxo-(3-phosphonopropoxy)phosphanium
SMILESCCO[P+](=O)OCCCP(=O)(O)O
InChIInChI=1S/C5H12O6P2/c1-2-10-12(6)11-4-3-5-13(7,8)9/h2-5H2,1H3,(H-,7,8,9)/p+1
InChIKeyRFFPURJMDMHSPN-UHFFFAOYSA-O
XLogP1.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethoxy-oxo-pentoxyphosphanium
CID 86182061
ethoxy-hexoxy-oxophosphanium
CID 6329155
bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 87949359
3-propoxypropylphosphonic acid
CID 89355602
9-ethoxynonylphosphonic acid
CID 102391475
CID 157268042
CID 157268042
3-cyanopropoxy-ethoxy-oxophosphanium
CID 174717255
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047
3-[hydroxy(propoxy)phosphoryl]oxypropylphosphonic acid
CID 126688943
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-(3-phosphonopropoxy)phosphanium?
The IUPAC name of ethoxy-oxo-(3-phosphonopropoxy)phosphanium (CID 88773935) is ethoxy-oxo-(3-phosphonopropoxy)phosphanium.
What is the SMILES notation for ethoxy-oxo-(3-phosphonopropoxy)phosphanium?
The canonical SMILES for ethoxy-oxo-(3-phosphonopropoxy)phosphanium is CCO[P+](=O)OCCCP(=O)(O)O.
What is the InChIKey of ethoxy-oxo-(3-phosphonopropoxy)phosphanium?
The InChIKey is RFFPURJMDMHSPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12O6P2/c1-2-10-12(6)11-4-3-5-13(7,8)9/h2-5H2,1H3,(H-,7,8,9)/p+1.
What are the key properties of ethoxy-oxo-(3-phosphonopropoxy)phosphanium?
ethoxy-oxo-(3-phosphonopropoxy)phosphanium has a molecular weight of 231.10 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-(3-phosphonopropoxy)phosphanium is sourced from PubChem (CID 88773935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).