hydroxy-oxo-propoxyphosphanium

C3H8O3P+ — CID 6328099

IUPAChydroxy-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)O
InChIInChI=1S/C3H7O3P/c1-2-3-6-7(4)5/h2-3H2,1H3/p+1
InChIKeyOWBGZFRYOBBPOG-UHFFFAOYSA-O
MW123.07 g/mol
LogP1.06
Rot. Bonds3

About hydroxy-oxo-propoxyphosphanium

hydroxy-oxo-propoxyphosphanium (PubChem CID 6328099) has the molecular formula C3H8O3P+ and a molecular weight of 123.07 g/mol. Its IUPAC name is hydroxy-oxo-propoxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-propoxyphosphanium
PubChem CID6328099
Molecular FormulaC3H8O3P+
Molecular Weight123.07 g/mol
Exact Mass123.02
IUPAC Namehydroxy-oxo-propoxyphosphanium
SMILESCCCO[P+](=O)O
InChIInChI=1S/C3H7O3P/c1-2-3-6-7(4)5/h2-3H2,1H3/p+1
InChIKeyOWBGZFRYOBBPOG-UHFFFAOYSA-O
XLogP1.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.07
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl phosphate
CID 654
Diethyl hydrogen phosphite
CID 6327654
Monoisopropyl phosphate
CID 15391
Phosphoric acid, monopropyl ester
CID 74188
Monoethyl phosphate
CID 74190
Ethyl methylphosphonate
CID 449085
Monobutyl phosphate
CID 15389
Dipropyl phosphate
CID 74544
Phosphonic acid, monobutyl ester
CID 6327918
Ethyl methylphosphinate
CID 6328184
Butyl methylphosphonate
CID 12459492
Ethyl dihydrogen diphosphate
CID 448674

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-propoxyphosphanium?
The IUPAC name of hydroxy-oxo-propoxyphosphanium (CID 6328099) is hydroxy-oxo-propoxyphosphanium.
What is the SMILES notation for hydroxy-oxo-propoxyphosphanium?
The canonical SMILES for hydroxy-oxo-propoxyphosphanium is CCCO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-propoxyphosphanium?
The InChIKey is OWBGZFRYOBBPOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O3P/c1-2-3-6-7(4)5/h2-3H2,1H3/p+1.
What are the key properties of hydroxy-oxo-propoxyphosphanium?
hydroxy-oxo-propoxyphosphanium has a molecular weight of 123.07 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propoxyphosphanium is sourced from PubChem (CID 6328099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).