zinc pentan-2-yl phosphite

C5H11O3PZn — CID 175309079

IUPACzinc pentan-2-yl phosphite
SMILESCCCC(C)OP([O-])[O-].[Zn+2]
InChIInChI=1S/C5H11O3P.Zn/c1-3-4-5(2)8-9(6)7;/h5H,3-4H2,1-2H3;/q-2;+2
InChIKeyKKYFWTDOIDQGNC-UHFFFAOYSA-N
MW215.50 g/mol
LogP0.14
Rot. Bonds4

About zinc pentan-2-yl phosphite

zinc pentan-2-yl phosphite (PubChem CID 175309079) has the molecular formula C5H11O3PZn and a molecular weight of 215.50 g/mol. Its IUPAC name is zinc pentan-2-yl phosphite.

Molecular Properties

Compound Namezinc pentan-2-yl phosphite
PubChem CID175309079
Molecular FormulaC5H11O3PZn
Molecular Weight215.50 g/mol
Exact Mass213.97
IUPAC Namezinc pentan-2-yl phosphite
SMILESCCCC(C)OP([O-])[O-].[Zn+2]
InChIInChI=1S/C5H11O3P.Zn/c1-3-4-5(2)8-9(6)7;/h5H,3-4H2,1-2H3;/q-2;+2
InChIKeyKKYFWTDOIDQGNC-UHFFFAOYSA-N
XLogP0.14
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.50
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[di(pentan-2-yloxy)methoxy]pentane
CID 19428773
1-methoxypentane;2-methoxypentane
CID 158569369
2-pentan-3-yloxypentane
CID 91256227
trimethyl(pentan-2-yloxy)silane
CID 552847
propan-2-yloxy(propyl)phosphinite
CID 18981653
dimethyl-octoxy-pentan-2-yloxysilane
CID 91736775
1-O-decyl 4-O-pentan-2-yl (E)-but-2-enedioate
CID 91709988
1-pentan-2-yloxypent-1-yne
CID 54504903
pentan-2-yl methanesulfonate
CID 12859934
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
diethyl-octadecoxy-pentan-2-yloxysilane
CID 91744997
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047

Frequently Asked Questions

What is the IUPAC name of zinc pentan-2-yl phosphite?
The IUPAC name of zinc pentan-2-yl phosphite (CID 175309079) is zinc pentan-2-yl phosphite.
What is the SMILES notation for zinc pentan-2-yl phosphite?
The canonical SMILES for zinc pentan-2-yl phosphite is CCCC(C)OP([O-])[O-].[Zn+2].
What is the InChIKey of zinc pentan-2-yl phosphite?
The InChIKey is KKYFWTDOIDQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P.Zn/c1-3-4-5(2)8-9(6)7;/h5H,3-4H2,1-2H3;/q-2;+2.
What are the key properties of zinc pentan-2-yl phosphite?
zinc pentan-2-yl phosphite has a molecular weight of 215.50 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc pentan-2-yl phosphite is sourced from PubChem (CID 175309079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).