butoxy-(2-ethylpent-4-enoxy)-oxophosphanium

C11H22O3P+ — CID 88686407

IUPACbutoxy-(2-ethylpent-4-enoxy)-oxophosphanium
SMILESC=CCC(CC)CO[P+](=O)OCCCC
InChIInChI=1S/C11H22O3P/c1-4-7-9-13-15(12)14-10-11(6-3)8-5-2/h5,11H,2,4,6-10H2,1,3H3/q+1
InChIKeyBXARMVSACMHDJE-UHFFFAOYSA-N
MW233.27 g/mol
LogP4.08
Rot. Bonds10

About butoxy-(2-ethylpent-4-enoxy)-oxophosphanium

butoxy-(2-ethylpent-4-enoxy)-oxophosphanium (PubChem CID 88686407) has the molecular formula C11H22O3P+ and a molecular weight of 233.27 g/mol. Its IUPAC name is butoxy-(2-ethylpent-4-enoxy)-oxophosphanium.

Molecular Properties

Compound Namebutoxy-(2-ethylpent-4-enoxy)-oxophosphanium
PubChem CID88686407
Molecular FormulaC11H22O3P+
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Namebutoxy-(2-ethylpent-4-enoxy)-oxophosphanium
SMILESC=CCC(CC)CO[P+](=O)OCCCC
InChIInChI=1S/C11H22O3P/c1-4-7-9-13-15(12)14-10-11(6-3)8-5-2/h5,11H,2,4,6-10H2,1,3H3/q+1
InChIKeyBXARMVSACMHDJE-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butoxy-(2-ethylpent-4-enoxy)-oxophosphanium?
The IUPAC name of butoxy-(2-ethylpent-4-enoxy)-oxophosphanium (CID 88686407) is butoxy-(2-ethylpent-4-enoxy)-oxophosphanium.
What is the SMILES notation for butoxy-(2-ethylpent-4-enoxy)-oxophosphanium?
The canonical SMILES for butoxy-(2-ethylpent-4-enoxy)-oxophosphanium is C=CCC(CC)CO[P+](=O)OCCCC.
What is the InChIKey of butoxy-(2-ethylpent-4-enoxy)-oxophosphanium?
The InChIKey is BXARMVSACMHDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3P/c1-4-7-9-13-15(12)14-10-11(6-3)8-5-2/h5,11H,2,4,6-10H2,1,3H3/q+1.
What are the key properties of butoxy-(2-ethylpent-4-enoxy)-oxophosphanium?
butoxy-(2-ethylpent-4-enoxy)-oxophosphanium has a molecular weight of 233.27 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(2-ethylpent-4-enoxy)-oxophosphanium is sourced from PubChem (CID 88686407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).