5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol

C17H28Cl2O3Si — CID 18427478

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2O3Si/c1-16(2,3)23(4,5)22-10-6-9-17(21,12-20)13-7-8-14(18)15(19)11-13/h7-8,11,20-21H,6,9-10,12H2,1-5H3
InChIKeyXEBCVLWFLSYNQJ-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.98
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol

5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol (PubChem CID 18427478) has the molecular formula C17H28Cl2O3Si and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol
PubChem CID18427478
Molecular FormulaC17H28Cl2O3Si
Molecular Weight379.40 g/mol
Exact Mass378.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2O3Si/c1-16(2,3)23(4,5)22-10-6-9-17(21,12-20)13-7-8-14(18)15(19)11-13/h7-8,11,20-21H,6,9-10,12H2,1-5H3
InChIKeyXEBCVLWFLSYNQJ-UHFFFAOYSA-N
XLogP4.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.98
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'}

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol 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 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol (CID 18427478) is 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol is CC(C)(C)[Si](C)(C)OCCCC(O)(CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol?
The InChIKey is XEBCVLWFLSYNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2O3Si/c1-16(2,3)23(4,5)22-10-6-9-17(21,12-20)13-7-8-14(18)15(19)11-13/h7-8,11,20-21H,6,9-10,12H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol?
5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol has a molecular weight of 379.40 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol is sourced from PubChem (CID 18427478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).