2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium

C5H12O4P+ — CID 121257772

IUPAC2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
SMILESCCOC(C)(C)O[P+](=O)O
InChIInChI=1S/C5H11O4P/c1-4-8-5(2,3)9-10(6)7/h4H2,1-3H3/p+1
InChIKeyBXXKEDFWRCPHCP-UHFFFAOYSA-O
MW167.12 g/mol
LogP1.43
Rot. Bonds4

About 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium

2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium (PubChem CID 121257772) has the molecular formula C5H12O4P+ and a molecular weight of 167.12 g/mol. Its IUPAC name is 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
PubChem CID121257772
Molecular FormulaC5H12O4P+
Molecular Weight167.12 g/mol
Exact Mass167.05
IUPAC Name2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
SMILESCCOC(C)(C)O[P+](=O)O
InChIInChI=1S/C5H11O4P/c1-4-8-5(2,3)9-10(6)7/h4H2,1-3H3/p+1
InChIKeyBXXKEDFWRCPHCP-UHFFFAOYSA-O
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamoyloxy-3-methylbutoxy)propan-2-yloxy-hydroxy-oxophosphanium
CID 90261772
bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
3-chloropentan-3-yloxy-hydroxy-oxophosphanium
CID 87677652
2-ethoxypropan-2-yl acetate
CID 19889183
2-(2-ethoxypropan-2-yloxy)acetic acid
CID 89112124
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191
2-ethoxypropan-2-yloxysilane
CID 173032012
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2,2-diethoxypropane;pyrrole-2,5-dione
CID 20982125

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium?
The IUPAC name of 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium (CID 121257772) is 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium is CCOC(C)(C)O[P+](=O)O.
What is the InChIKey of 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium?
The InChIKey is BXXKEDFWRCPHCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11O4P/c1-4-8-5(2,3)9-10(6)7/h4H2,1-3H3/p+1.
What are the key properties of 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium?
2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium has a molecular weight of 167.12 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 121257772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).