pentyl dihydrogen phosphite;zinc

C5H13O3PZn — CID 88839337

IUPACpentyl dihydrogen phosphite;zinc
SMILESCCCCCOP(O)O.[Zn]
InChIInChI=1S/C5H13O3P.Zn/c1-2-3-4-5-8-9(6)7;/h6-7H,2-5H2,1H3;
InChIKeyYZUQTIUPYYHCKN-UHFFFAOYSA-N
MW217.52 g/mol
LogP1.40
Rot. Bonds5

About pentyl dihydrogen phosphite;zinc

pentyl dihydrogen phosphite;zinc (PubChem CID 88839337) has the molecular formula C5H13O3PZn and a molecular weight of 217.52 g/mol. Its IUPAC name is pentyl dihydrogen phosphite;zinc.

Molecular Properties

Compound Namepentyl dihydrogen phosphite;zinc
PubChem CID88839337
Molecular FormulaC5H13O3PZn
Molecular Weight217.52 g/mol
Exact Mass215.99
IUPAC Namepentyl dihydrogen phosphite;zinc
SMILESCCCCCOP(O)O.[Zn]
InChIInChI=1S/C5H13O3P.Zn/c1-2-3-4-5-8-9(6)7;/h6-7H,2-5H2,1H3;
InChIKeyYZUQTIUPYYHCKN-UHFFFAOYSA-N
XLogP1.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.52
LogP ≤ 51.40
H-Bond Donors ≤ 52
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

azane;hexyl dihydrogen phosphite
CID 173357133
2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
CID 175158559
didecyl hydrogen phosphite
CID 14151265
pentadecoxyphosphonamidous acid
CID 149252404
propyl tetradecyl hydrogen phosphite
CID 121403997
4,4-bis(nonylsulfanyl)butyl dihydrogen phosphite
CID 54212091
decoxy(octoxy)phosphinothious acid
CID 54152589
hexyl methyl hydrogen phosphite
CID 22731198
triheptadecyl phosphite
CID 23435031
dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 67253735
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252

Frequently Asked Questions

What is the IUPAC name of pentyl dihydrogen phosphite;zinc?
The IUPAC name of pentyl dihydrogen phosphite;zinc (CID 88839337) is pentyl dihydrogen phosphite;zinc.
What is the SMILES notation for pentyl dihydrogen phosphite;zinc?
The canonical SMILES for pentyl dihydrogen phosphite;zinc is CCCCCOP(O)O.[Zn].
What is the InChIKey of pentyl dihydrogen phosphite;zinc?
The InChIKey is YZUQTIUPYYHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P.Zn/c1-2-3-4-5-8-9(6)7;/h6-7H,2-5H2,1H3;.
What are the key properties of pentyl dihydrogen phosphite;zinc?
pentyl dihydrogen phosphite;zinc has a molecular weight of 217.52 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl dihydrogen phosphite;zinc is sourced from PubChem (CID 88839337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).