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

C16H26Cl2O3Si — CID 10959461

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@](O)(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H26Cl2O3Si/c1-15(2,3)22(4,5)21-9-8-16(20,11-19)12-6-7-13(17)14(18)10-12/h6-7,10,19-20H,8-9,11H2,1-5H3/t16-/m0/s1
InChIKeyHIOQXYWZDIYGST-INIZCTEOSA-N
MW365.37 g/mol
LogP4.59
Rot. Bonds6

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

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol (PubChem CID 10959461) has the molecular formula C16H26Cl2O3Si and a molecular weight of 365.37 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol
PubChem CID10959461
Molecular FormulaC16H26Cl2O3Si
Molecular Weight365.37 g/mol
Exact Mass364.10
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@](O)(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H26Cl2O3Si/c1-15(2,3)22(4,5)21-9-8-16(20,11-19)12-6-7-13(17)14(18)10-12/h6-7,10,19-20H,8-9,11H2,1-5H3/t16-/m0/s1
InChIKeyHIOQXYWZDIYGST-INIZCTEOSA-N
XLogP4.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-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

Related Compounds

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)-2-trimethylsilyloxybutanenitrile
CID 10410565
4-(4-Chlorophenyl)-3,3-difluoro-4-triethylsilyloxypentan-1-ol
CID 176306473
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
(1S,2R,3S)-1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-methylpropane-1,3-diol
CID 102071275
(2R)-1-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butan-2-ol
CID 12086549
1-(3,4-Dichlorophenyl)pentan-1-ol
CID 12947385
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]methanol
CID 14687069
2-(3,4-Dichlorophenyl)-2-propanol
CID 17139492
1-Amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol
CID 18427464
5-[Tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentane-1,2-diol
CID 18427478
2-[Tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethanol
CID 18988072
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol
CID 19073644

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol (CID 10959461) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol is CC(C)(C)[Si](C)(C)OCC[C@](O)(CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol?
The InChIKey is HIOQXYWZDIYGST-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26Cl2O3Si/c1-15(2,3)22(4,5)21-9-8-16(20,11-19)12-6-7-13(17)14(18)10-12/h6-7,10,19-20H,8-9,11H2,1-5H3/t16-/m0/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol has a molecular weight of 365.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butane-1,2-diol is sourced from PubChem (CID 10959461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).