oxo-bis(2-oxo-7-phenylheptoxy)phosphanium

C26H34O5P+ — CID 70638473

IUPACoxo-bis(2-oxo-7-phenylheptoxy)phosphanium
SMILESO=C(CCCCCc1ccccc1)CO[P+](=O)OCC(=O)CCCCCc1ccccc1
InChIInChI=1S/C26H34O5P/c27-25(19-11-3-9-17-23-13-5-1-6-14-23)21-30-32(29)31-22-26(28)20-12-4-10-18-24-15-7-2-8-16-24/h1-2,5-8,13-16H,3-4,9-12,17-22H2/q+1
InChIKeyVEPSSVINRLOERJ-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.42
Rot. Bonds18

About oxo-bis(2-oxo-7-phenylheptoxy)phosphanium

oxo-bis(2-oxo-7-phenylheptoxy)phosphanium (PubChem CID 70638473) has the molecular formula C26H34O5P+ and a molecular weight of 457.53 g/mol. Its IUPAC name is oxo-bis(2-oxo-7-phenylheptoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2-oxo-7-phenylheptoxy)phosphanium
PubChem CID70638473
Molecular FormulaC26H34O5P+
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Nameoxo-bis(2-oxo-7-phenylheptoxy)phosphanium
SMILESO=C(CCCCCc1ccccc1)CO[P+](=O)OCC(=O)CCCCCc1ccccc1
InChIInChI=1S/C26H34O5P/c27-25(19-11-3-9-17-23-13-5-1-6-14-23)21-30-32(29)31-22-26(28)20-12-4-10-18-24-15-7-2-8-16-24/h1-2,5-8,13-16H,3-4,9-12,17-22H2/q+1
InChIKeyVEPSSVINRLOERJ-UHFFFAOYSA-N
XLogP6.42
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,9-diphenylnonan-5-one
CID 23467830
16-phenyl-1-(trifluoromethoxy)hexadecan-2-one
CID 70498618
15-phenylpentadecanoic acid
CID 2737151
13-phenyltridecane-2,4-dione
CID 19792481
bis[(3R)-3-methyl-2-oxo-6-phenylhexoxy]-oxophosphanium
CID 175036610
bis(3-phenylpropyl) decanedioate
CID 91710064
phenyl 5-phenylpentanoate
CID 10944973
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
potassium 15-phenylpentadecanoate
CID 23717018
acetyl 5-phenylpentanoate
CID 173141097
methyl 3-oxo-6-phenylhexanoate
CID 12701554

Frequently Asked Questions

What is the IUPAC name of oxo-bis(2-oxo-7-phenylheptoxy)phosphanium?
The IUPAC name of oxo-bis(2-oxo-7-phenylheptoxy)phosphanium (CID 70638473) is oxo-bis(2-oxo-7-phenylheptoxy)phosphanium.
What is the SMILES notation for oxo-bis(2-oxo-7-phenylheptoxy)phosphanium?
The canonical SMILES for oxo-bis(2-oxo-7-phenylheptoxy)phosphanium is O=C(CCCCCc1ccccc1)CO[P+](=O)OCC(=O)CCCCCc1ccccc1.
What is the InChIKey of oxo-bis(2-oxo-7-phenylheptoxy)phosphanium?
The InChIKey is VEPSSVINRLOERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O5P/c27-25(19-11-3-9-17-23-13-5-1-6-14-23)21-30-32(29)31-22-26(28)20-12-4-10-18-24-15-7-2-8-16-24/h1-2,5-8,13-16H,3-4,9-12,17-22H2/q+1.
What are the key properties of oxo-bis(2-oxo-7-phenylheptoxy)phosphanium?
oxo-bis(2-oxo-7-phenylheptoxy)phosphanium has a molecular weight of 457.53 g/mol, XLogP of 6.42, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2-oxo-7-phenylheptoxy)phosphanium is sourced from PubChem (CID 70638473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).