2-methylpent-4-enoxy-oxo-propoxyphosphanium

C9H18O3P+ — CID 88686860

IUPAC2-methylpent-4-enoxy-oxo-propoxyphosphanium
SMILESC=CCC(C)CO[P+](=O)OCCC
InChIInChI=1S/C9H18O3P/c1-4-6-9(3)8-12-13(10)11-7-5-2/h4,9H,1,5-8H2,2-3H3/q+1
InChIKeyOVQFARDCSXAXHJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP3.30
Rot. Bonds8

About 2-methylpent-4-enoxy-oxo-propoxyphosphanium

2-methylpent-4-enoxy-oxo-propoxyphosphanium (PubChem CID 88686860) has the molecular formula C9H18O3P+ and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-methylpent-4-enoxy-oxo-propoxyphosphanium.

Molecular Properties

Compound Name2-methylpent-4-enoxy-oxo-propoxyphosphanium
PubChem CID88686860
Molecular FormulaC9H18O3P+
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-methylpent-4-enoxy-oxo-propoxyphosphanium
SMILESC=CCC(C)CO[P+](=O)OCCC
InChIInChI=1S/C9H18O3P/c1-4-6-9(3)8-12-13(10)11-7-5-2/h4,9H,1,5-8H2,2-3H3/q+1
InChIKeyOVQFARDCSXAXHJ-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.30
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 2-methylpent-4-enoxy-oxo-propoxyphosphanium?
The IUPAC name of 2-methylpent-4-enoxy-oxo-propoxyphosphanium (CID 88686860) is 2-methylpent-4-enoxy-oxo-propoxyphosphanium.
What is the SMILES notation for 2-methylpent-4-enoxy-oxo-propoxyphosphanium?
The canonical SMILES for 2-methylpent-4-enoxy-oxo-propoxyphosphanium is C=CCC(C)CO[P+](=O)OCCC.
What is the InChIKey of 2-methylpent-4-enoxy-oxo-propoxyphosphanium?
The InChIKey is OVQFARDCSXAXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3P/c1-4-6-9(3)8-12-13(10)11-7-5-2/h4,9H,1,5-8H2,2-3H3/q+1.
What are the key properties of 2-methylpent-4-enoxy-oxo-propoxyphosphanium?
2-methylpent-4-enoxy-oxo-propoxyphosphanium has a molecular weight of 205.21 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-4-enoxy-oxo-propoxyphosphanium is sourced from PubChem (CID 88686860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).