2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc

C12H17Cl5O2SiZn — CID 22386056

IUPAC2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc
SMILESCC[Si](O)(CC)CC.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Zn]
InChIInChI=1S/C6HCl5O.C6H16OSi.Zn/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-4-8(7,5-2)6-3;/h12H;7H,4-6H2,1-3H3;
InChIKeyHATQAQCDQGWQAX-UHFFFAOYSA-N
MW464.01 g/mol
LogP6.64
Rot. Bonds3

About 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc

2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc (PubChem CID 22386056) has the molecular formula C12H17Cl5O2SiZn and a molecular weight of 464.01 g/mol. Its IUPAC name is 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc.

Molecular Properties

Compound Name2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc
PubChem CID22386056
Molecular FormulaC12H17Cl5O2SiZn
Molecular Weight464.01 g/mol
Exact Mass459.87
IUPAC Name2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc
SMILESCC[Si](O)(CC)CC.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Zn]
InChIInChI=1S/C6HCl5O.C6H16OSi.Zn/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-4-8(7,5-2)6-3;/h12H;7H,4-6H2,1-3H3;
InChIKeyHATQAQCDQGWQAX-UHFFFAOYSA-N
XLogP6.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc?
The IUPAC name of 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc (CID 22386056) is 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc.
What is the SMILES notation for 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc?
The canonical SMILES for 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc is CC[Si](O)(CC)CC.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Zn].
What is the InChIKey of 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc?
The InChIKey is HATQAQCDQGWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl5O.C6H16OSi.Zn/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-4-8(7,5-2)6-3;/h12H;7H,4-6H2,1-3H3;.
What are the key properties of 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc?
2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc has a molecular weight of 464.01 g/mol, XLogP of 6.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentachlorophenol;triethyl(hydroxy)silane;zinc is sourced from PubChem (CID 22386056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).