oxo-pent-4-enyl-propan-2-yloxyphosphanium

C8H16O2P+ — CID 57242365

IUPACoxo-pent-4-enyl-propan-2-yloxyphosphanium
SMILESC=CCCC[P+](=O)OC(C)C
InChIInChI=1S/C8H16O2P/c1-4-5-6-7-11(9)10-8(2)3/h4,8H,1,5-7H2,2-3H3/q+1
InChIKeyIQNNJRDYDGJHGG-UHFFFAOYSA-N
MW175.19 g/mol
LogP3.12
Rot. Bonds6

About oxo-pent-4-enyl-propan-2-yloxyphosphanium

oxo-pent-4-enyl-propan-2-yloxyphosphanium (PubChem CID 57242365) has the molecular formula C8H16O2P+ and a molecular weight of 175.19 g/mol. Its IUPAC name is oxo-pent-4-enyl-propan-2-yloxyphosphanium.

Molecular Properties

Compound Nameoxo-pent-4-enyl-propan-2-yloxyphosphanium
PubChem CID57242365
Molecular FormulaC8H16O2P+
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Nameoxo-pent-4-enyl-propan-2-yloxyphosphanium
SMILESC=CCCC[P+](=O)OC(C)C
InChIInChI=1S/C8H16O2P/c1-4-5-6-7-11(9)10-8(2)3/h4,8H,1,5-7H2,2-3H3/q+1
InChIKeyIQNNJRDYDGJHGG-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 oxo-pent-4-enyl-propan-2-yloxyphosphanium?
The IUPAC name of oxo-pent-4-enyl-propan-2-yloxyphosphanium (CID 57242365) is oxo-pent-4-enyl-propan-2-yloxyphosphanium.
What is the SMILES notation for oxo-pent-4-enyl-propan-2-yloxyphosphanium?
The canonical SMILES for oxo-pent-4-enyl-propan-2-yloxyphosphanium is C=CCCC[P+](=O)OC(C)C.
What is the InChIKey of oxo-pent-4-enyl-propan-2-yloxyphosphanium?
The InChIKey is IQNNJRDYDGJHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2P/c1-4-5-6-7-11(9)10-8(2)3/h4,8H,1,5-7H2,2-3H3/q+1.
What are the key properties of oxo-pent-4-enyl-propan-2-yloxyphosphanium?
oxo-pent-4-enyl-propan-2-yloxyphosphanium has a molecular weight of 175.19 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-pent-4-enyl-propan-2-yloxyphosphanium is sourced from PubChem (CID 57242365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).