3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol

C28H60O3Si — CID 54196736

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol
SMILESCCCCCCCCCCCCCCCCOCC(O)C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C28H60O3Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-24-26(29)27(25(2)3)31-32(7,8)28(4,5)6/h25-27,29H,9-24H2,1-8H3
InChIKeyPMIQWZOUWWDHQA-UHFFFAOYSA-N
MW472.87 g/mol
LogP8.89
Rot. Bonds21

About 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol

3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol (PubChem CID 54196736) has the molecular formula C28H60O3Si and a molecular weight of 472.87 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol
PubChem CID54196736
Molecular FormulaC28H60O3Si
Molecular Weight472.87 g/mol
Exact Mass472.43
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol
SMILESCCCCCCCCCCCCCCCCOCC(O)C(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C28H60O3Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-24-26(29)27(25(2)3)31-32(7,8)28(4,5)6/h25-27,29H,9-24H2,1-8H3
InChIKeyPMIQWZOUWWDHQA-UHFFFAOYSA-N
XLogP8.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.87
LogP ≤ 58.89
H-Bond Donors ≤ 51
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 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol 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 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol (CID 54196736) is 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol is CCCCCCCCCCCCCCCCOCC(O)C(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol?
The InChIKey is PMIQWZOUWWDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O3Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-24-26(29)27(25(2)3)31-32(7,8)28(4,5)6/h25-27,29H,9-24H2,1-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol?
3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol has a molecular weight of 472.87 g/mol, XLogP of 8.89, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-ol is sourced from PubChem (CID 54196736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).