1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol

C17H29Cl2NO2Si — CID 18427464

IUPAC1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H29Cl2NO2Si/c1-16(2,3)23(4,5)22-10-6-9-17(21,12-20)13-7-8-14(18)15(19)11-13/h7-8,11,21H,6,9-10,12,20H2,1-5H3
InChIKeyIUUXZKYZVADCSO-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.94
Rot. Bonds7

About 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol

1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol (PubChem CID 18427464) has the molecular formula C17H29Cl2NO2Si and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol
PubChem CID18427464
Molecular FormulaC17H29Cl2NO2Si
Molecular Weight378.42 g/mol
Exact Mass377.13
IUPAC Name1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H29Cl2NO2Si/c1-16(2,3)23(4,5)22-10-6-9-17(21,12-20)13-7-8-14(18)15(19)11-13/h7-8,11,21H,6,9-10,12,20H2,1-5H3
InChIKeyIUUXZKYZVADCSO-UHFFFAOYSA-N
XLogP4.94
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.94
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol?
The IUPAC name of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol (CID 18427464) is 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol?
The canonical SMILES for 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol is CC(C)(C)[Si](C)(C)OCCCC(O)(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol?
The InChIKey is IUUXZKYZVADCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29Cl2NO2Si/c1-16(2,3)23(4,5)22-10-6-9-17(21,12-20)13-7-8-14(18)15(19)11-13/h7-8,11,21H,6,9-10,12,20H2,1-5H3.
What are the key properties of 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol?
1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol has a molecular weight of 378.42 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)pentan-2-ol is sourced from PubChem (CID 18427464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).