bis(2,2-dimethylpent-4-enoxy)-oxophosphanium

C14H26O3P+ — CID 57165401

IUPACbis(2,2-dimethylpent-4-enoxy)-oxophosphanium
SMILESC=CCC(C)(C)CO[P+](=O)OCC(C)(C)CC=C
InChIInChI=1S/C14H26O3P/c1-7-9-13(3,4)11-16-18(15)17-12-14(5,6)10-8-2/h7-8H,1-2,9-12H2,3-6H3/q+1
InChIKeySLZARYOAJFOPIC-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.88
Rot. Bonds10

About bis(2,2-dimethylpent-4-enoxy)-oxophosphanium

bis(2,2-dimethylpent-4-enoxy)-oxophosphanium (PubChem CID 57165401) has the molecular formula C14H26O3P+ and a molecular weight of 273.33 g/mol. Its IUPAC name is bis(2,2-dimethylpent-4-enoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2,2-dimethylpent-4-enoxy)-oxophosphanium
PubChem CID57165401
Molecular FormulaC14H26O3P+
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namebis(2,2-dimethylpent-4-enoxy)-oxophosphanium
SMILESC=CCC(C)(C)CO[P+](=O)OCC(C)(C)CC=C
InChIInChI=1S/C14H26O3P/c1-7-9-13(3,4)11-16-18(15)17-12-14(5,6)10-8-2/h7-8H,1-2,9-12H2,3-6H3/q+1
InChIKeySLZARYOAJFOPIC-UHFFFAOYSA-N
XLogP4.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpent-4-enoxy)-oxophosphanium?
The IUPAC name of bis(2,2-dimethylpent-4-enoxy)-oxophosphanium (CID 57165401) is bis(2,2-dimethylpent-4-enoxy)-oxophosphanium.
What is the SMILES notation for bis(2,2-dimethylpent-4-enoxy)-oxophosphanium?
The canonical SMILES for bis(2,2-dimethylpent-4-enoxy)-oxophosphanium is C=CCC(C)(C)CO[P+](=O)OCC(C)(C)CC=C.
What is the InChIKey of bis(2,2-dimethylpent-4-enoxy)-oxophosphanium?
The InChIKey is SLZARYOAJFOPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3P/c1-7-9-13(3,4)11-16-18(15)17-12-14(5,6)10-8-2/h7-8H,1-2,9-12H2,3-6H3/q+1.
What are the key properties of bis(2,2-dimethylpent-4-enoxy)-oxophosphanium?
bis(2,2-dimethylpent-4-enoxy)-oxophosphanium has a molecular weight of 273.33 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpent-4-enoxy)-oxophosphanium is sourced from PubChem (CID 57165401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).