bis(non-8-en-4-ynoxy)-oxophosphanium

C18H26O3P+ — CID 118572739

IUPACbis(non-8-en-4-ynoxy)-oxophosphanium
SMILESC=CCCC#CCCCO[P+](=O)OCCCC#CCCC=C
InChIInChI=1S/C18H26O3P/c1-3-5-7-9-11-13-15-17-20-22(19)21-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-8,13-18H2/q+1
InChIKeyKCCBNVVWHDCEMJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.18
Rot. Bonds12

About bis(non-8-en-4-ynoxy)-oxophosphanium

bis(non-8-en-4-ynoxy)-oxophosphanium (PubChem CID 118572739) has the molecular formula C18H26O3P+ and a molecular weight of 321.38 g/mol. Its IUPAC name is bis(non-8-en-4-ynoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(non-8-en-4-ynoxy)-oxophosphanium
PubChem CID118572739
Molecular FormulaC18H26O3P+
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Namebis(non-8-en-4-ynoxy)-oxophosphanium
SMILESC=CCCC#CCCCO[P+](=O)OCCCC#CCCC=C
InChIInChI=1S/C18H26O3P/c1-3-5-7-9-11-13-15-17-20-22(19)21-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-8,13-18H2/q+1
InChIKeyKCCBNVVWHDCEMJ-UHFFFAOYSA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.18
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(non-8-en-4-ynoxy)-oxophosphanium?
The IUPAC name of bis(non-8-en-4-ynoxy)-oxophosphanium (CID 118572739) is bis(non-8-en-4-ynoxy)-oxophosphanium.
What is the SMILES notation for bis(non-8-en-4-ynoxy)-oxophosphanium?
The canonical SMILES for bis(non-8-en-4-ynoxy)-oxophosphanium is C=CCCC#CCCCO[P+](=O)OCCCC#CCCC=C.
What is the InChIKey of bis(non-8-en-4-ynoxy)-oxophosphanium?
The InChIKey is KCCBNVVWHDCEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3P/c1-3-5-7-9-11-13-15-17-20-22(19)21-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-8,13-18H2/q+1.
What are the key properties of bis(non-8-en-4-ynoxy)-oxophosphanium?
bis(non-8-en-4-ynoxy)-oxophosphanium has a molecular weight of 321.38 g/mol, XLogP of 5.18, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(non-8-en-4-ynoxy)-oxophosphanium is sourced from PubChem (CID 118572739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).