[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium

C14H27O4P — CID 141424798

IUPAC[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium
SMILESCC(C=[P+]([O-])CCOC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27O4P/c1-11(12(15)18-14(5,6)7)10-19(16)9-8-17-13(2,3)4/h10-11H,8-9H2,1-7H3
InChIKeyGGXLJHMFBUOSDS-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.34
Rot. Bonds5

About [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium

[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium (PubChem CID 141424798) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium.

Molecular Properties

Compound Name[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium
PubChem CID141424798
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium
SMILESCC(C=[P+]([O-])CCOC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27O4P/c1-11(12(15)18-14(5,6)7)10-19(16)9-8-17-13(2,3)4/h10-11H,8-9H2,1-7H3
InChIKeyGGXLJHMFBUOSDS-UHFFFAOYSA-N
XLogP2.34
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium with MolForge

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Related Compounds

tert-butyl (2S)-2-methyl-3-oxopropanoate
CID 58446027
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
5-O-amino 1-O-tert-butyl 2-propan-2-ylpentanedioate
CID 174541193
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
CID 88706871
2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
CID 112590814
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium?
The IUPAC name of [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium (CID 141424798) is [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium.
What is the SMILES notation for [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium?
The canonical SMILES for [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium is CC(C=[P+]([O-])CCOC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium?
The InChIKey is GGXLJHMFBUOSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O4P/c1-11(12(15)18-14(5,6)7)10-19(16)9-8-17-13(2,3)4/h10-11H,8-9H2,1-7H3.
What are the key properties of [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium?
[2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium has a molecular weight of 290.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropylidene]-[2-[(2-methylpropan-2-yl)oxy]ethyl]-oxidophosphanium is sourced from PubChem (CID 141424798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).