4-octadecoxy-1,3,2,4-dioxatelluraphosphetane

C18H37O3PTe — CID 153406163

IUPAC4-octadecoxy-1,3,2,4-dioxatelluraphosphetane
SMILESCCCCCCCCCCCCCCCCCCOP1O[Te]O1
InChIInChI=1S/C18H37O3PTe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23-21-22/h2-18H2,1H3
InChIKeyCCUSLNBXPRZENQ-UHFFFAOYSA-N
MW460.07 g/mol
LogP7.07
Rot. Bonds18

About 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane

4-octadecoxy-1,3,2,4-dioxatelluraphosphetane (PubChem CID 153406163) has the molecular formula C18H37O3PTe and a molecular weight of 460.07 g/mol. Its IUPAC name is 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane.

Molecular Properties

Compound Name4-octadecoxy-1,3,2,4-dioxatelluraphosphetane
PubChem CID153406163
Molecular FormulaC18H37O3PTe
Molecular Weight460.07 g/mol
Exact Mass462.15
IUPAC Name4-octadecoxy-1,3,2,4-dioxatelluraphosphetane
SMILESCCCCCCCCCCCCCCCCCCOP1O[Te]O1
InChIInChI=1S/C18H37O3PTe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23-21-22/h2-18H2,1H3
InChIKeyCCUSLNBXPRZENQ-UHFFFAOYSA-N
XLogP7.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.07
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hexadecoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 70884461
triheptoxy(methyl)silane
CID 525768
tri(icosoxy)-methylsilane
CID 163923848
1-hydroperoxyheptadecane
CID 123893325
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-octylperoxynonane
CID 151564626
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane?
The IUPAC name of 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane (CID 153406163) is 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane.
What is the SMILES notation for 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane?
The canonical SMILES for 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane is CCCCCCCCCCCCCCCCCCOP1O[Te]O1.
What is the InChIKey of 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane?
The InChIKey is CCUSLNBXPRZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O3PTe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23-21-22/h2-18H2,1H3.
What are the key properties of 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane?
4-octadecoxy-1,3,2,4-dioxatelluraphosphetane has a molecular weight of 460.07 g/mol, XLogP of 7.07, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octadecoxy-1,3,2,4-dioxatelluraphosphetane is sourced from PubChem (CID 153406163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).