pentoxyphosphane;trihydrate

C5H19O4P — CID 172746839

IUPACpentoxyphosphane;trihydrate
SMILESCCCCCOP.O.O.O
InChIInChI=1S/C5H13OP.3H2O/c1-2-3-4-5-6-7;;;/h2-5,7H2,1H3;3*1H2
InChIKeyUVJNPFUVPUAXEJ-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.49
Rot. Bonds4

About pentoxyphosphane;trihydrate

pentoxyphosphane;trihydrate (PubChem CID 172746839) has the molecular formula C5H19O4P and a molecular weight of 174.18 g/mol. Its IUPAC name is pentoxyphosphane;trihydrate.

Molecular Properties

Compound Namepentoxyphosphane;trihydrate
PubChem CID172746839
Molecular FormulaC5H19O4P
Molecular Weight174.18 g/mol
Exact Mass174.10
IUPAC Namepentoxyphosphane;trihydrate
SMILESCCCCCOP.O.O.O
InChIInChI=1S/C5H13OP.3H2O/c1-2-3-4-5-6-7;;;/h2-5,7H2,1H3;3*1H2
InChIKeyUVJNPFUVPUAXEJ-UHFFFAOYSA-N
XLogP-0.49
TPSA103.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.49
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

dodecylmercury;hydrate
CID 78070234
methane;1-pentoxypentane;hydrate
CID 175598954
hexane;tetrahydrate
CID 174107213
chlorophosphane;1-pentoxypentane
CID 175245109
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973
pentoxyphosphanium
CID 151109139
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of pentoxyphosphane;trihydrate?
The IUPAC name of pentoxyphosphane;trihydrate (CID 172746839) is pentoxyphosphane;trihydrate.
What is the SMILES notation for pentoxyphosphane;trihydrate?
The canonical SMILES for pentoxyphosphane;trihydrate is CCCCCOP.O.O.O.
What is the InChIKey of pentoxyphosphane;trihydrate?
The InChIKey is UVJNPFUVPUAXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OP.3H2O/c1-2-3-4-5-6-7;;;/h2-5,7H2,1H3;3*1H2.
What are the key properties of pentoxyphosphane;trihydrate?
pentoxyphosphane;trihydrate has a molecular weight of 174.18 g/mol, XLogP of -0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxyphosphane;trihydrate is sourced from PubChem (CID 172746839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).