pentoxyphosphanium

C5H14OP+ — CID 151109139

IUPACpentoxyphosphanium
SMILESCCCCCO[PH3+]
InChIInChI=1S/C5H14OP/c1-2-3-4-5-6-7/h2-5H2,1,7H3/q+1
InChIKeyMPTACDRXEQHHSV-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.72
Rot. Bonds4

About pentoxyphosphanium

pentoxyphosphanium (PubChem CID 151109139) has the molecular formula C5H14OP+ and a molecular weight of 121.14 g/mol. Its IUPAC name is pentoxyphosphanium.

Molecular Properties

Compound Namepentoxyphosphanium
PubChem CID151109139
Molecular FormulaC5H14OP+
Molecular Weight121.14 g/mol
Exact Mass121.08
IUPAC Namepentoxyphosphanium
SMILESCCCCCO[PH3+]
InChIInChI=1S/C5H14OP/c1-2-3-4-5-6-7/h2-5H2,1,7H3/q+1
InChIKeyMPTACDRXEQHHSV-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
methane;1-pentoxypentane;hydrate
CID 175598954

Frequently Asked Questions

What is the IUPAC name of pentoxyphosphanium?
The IUPAC name of pentoxyphosphanium (CID 151109139) is pentoxyphosphanium.
What is the SMILES notation for pentoxyphosphanium?
The canonical SMILES for pentoxyphosphanium is CCCCCO[PH3+].
What is the InChIKey of pentoxyphosphanium?
The InChIKey is MPTACDRXEQHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OP/c1-2-3-4-5-6-7/h2-5H2,1,7H3/q+1.
What are the key properties of pentoxyphosphanium?
pentoxyphosphanium has a molecular weight of 121.14 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxyphosphanium is sourced from PubChem (CID 151109139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).