(2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium

C12H24O4P+ — CID 90416817

IUPAC(2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium
SMILESCC(C)OC(=O)C(C)C[P+](=O)C(C)OC(C)C
InChIInChI=1S/C12H24O4P/c1-8(2)15-11(6)17(14)7-10(5)12(13)16-9(3)4/h8-11H,7H2,1-6H3/q+1
InChIKeyFBSSZAAXCCTVOT-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.17
Rot. Bonds7

About (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium

(2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium (PubChem CID 90416817) has the molecular formula C12H24O4P+ and a molecular weight of 263.29 g/mol. Its IUPAC name is (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium.

Molecular Properties

Compound Name(2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium
PubChem CID90416817
Molecular FormulaC12H24O4P+
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name(2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium
SMILESCC(C)OC(=O)C(C)C[P+](=O)C(C)OC(C)C
InChIInChI=1S/C12H24O4P/c1-8(2)15-11(6)17(14)7-10(5)12(13)16-9(3)4/h8-11H,7H2,1-6H3/q+1
InChIKeyFBSSZAAXCCTVOT-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium?
The IUPAC name of (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium (CID 90416817) is (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium.
What is the SMILES notation for (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium?
The canonical SMILES for (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium is CC(C)OC(=O)C(C)C[P+](=O)C(C)OC(C)C.
What is the InChIKey of (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium?
The InChIKey is FBSSZAAXCCTVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4P/c1-8(2)15-11(6)17(14)7-10(5)12(13)16-9(3)4/h8-11H,7H2,1-6H3/q+1.
What are the key properties of (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium?
(2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium has a molecular weight of 263.29 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-oxo-3-propan-2-yloxypropyl)-oxo-(1-propan-2-yloxyethyl)phosphanium is sourced from PubChem (CID 90416817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).