3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol

C17H28Cl2O2Si — CID 19073649

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol
SMILESCC(O[Si](C)(C)C(C)(C)C)C(CO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2O2Si/c1-12(21-22(5,6)17(2,3)4)14(11-20)9-13-7-8-15(18)16(19)10-13/h7-8,10,12,14,20H,9,11H2,1-6H3
InChIKeyHKPGJEIJJJPRLH-UHFFFAOYSA-N
MW363.40 g/mol
LogP5.55
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol (PubChem CID 19073649) has the molecular formula C17H28Cl2O2Si and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol
PubChem CID19073649
Molecular FormulaC17H28Cl2O2Si
Molecular Weight363.40 g/mol
Exact Mass362.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol
SMILESCC(O[Si](C)(C)C(C)(C)C)C(CO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2O2Si/c1-12(21-22(5,6)17(2,3)4)14(11-20)9-13-7-8-15(18)16(19)10-13/h7-8,10,12,14,20H,9,11H2,1-6H3
InChIKeyHKPGJEIJJJPRLH-UHFFFAOYSA-N
XLogP5.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-fluorophenyl)ethanamine
CID 175532246
tert-butyl 2-amino-3-(3,4-dichlorophenyl)propanoate
CID 83226012
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
CID 63046678
(2R)-2-[(3,4-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666109
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol
CID 70110091
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
CID 65315014
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol (CID 19073649) is 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol is CC(O[Si](C)(C)C(C)(C)C)C(CO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol?
The InChIKey is HKPGJEIJJJPRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2O2Si/c1-12(21-22(5,6)17(2,3)4)14(11-20)9-13-7-8-15(18)16(19)10-13/h7-8,10,12,14,20H,9,11H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol has a molecular weight of 363.40 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dichlorophenyl)methyl]butan-1-ol is sourced from PubChem (CID 19073649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).