tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate

C25H52O3Si — CID 138970754

IUPACtert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
SMILESCCCCC[C@H](CC[C@H](C)CCCCC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O3Si/c1-11-12-13-17-22(28-29(9,10)25(6,7)8)20-19-21(2)16-14-15-18-23(26)27-24(3,4)5/h21-22H,11-20H2,1-10H3/t21-,22-/m1/s1
InChIKeyOZKHHFYISFBZAP-FGZHOGPDSA-N
MW428.77 g/mol
LogP8.28
Rot. Bonds14

About tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate

tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate (PubChem CID 138970754) has the molecular formula C25H52O3Si and a molecular weight of 428.77 g/mol. Its IUPAC name is tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate.

Molecular Properties

Compound Nametert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
PubChem CID138970754
Molecular FormulaC25H52O3Si
Molecular Weight428.77 g/mol
Exact Mass428.37
IUPAC Nametert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
SMILESCCCCC[C@H](CC[C@H](C)CCCCC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O3Si/c1-11-12-13-17-22(28-29(9,10)25(6,7)8)20-19-21(2)16-14-15-18-23(26)27-24(3,4)5/h21-22H,11-20H2,1-10H3/t21-,22-/m1/s1
InChIKeyOZKHHFYISFBZAP-FGZHOGPDSA-N
XLogP8.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 58.28
H-Bond Donors ≤ 50
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 tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate 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

Isopropyl Isostearate
CID 94625
Octyldodecyl Octyldodecanoate
CID 22496690
Hexyldecyl Hexyldecanoate
CID 87337783
6-Methyl-3-(3-methylbutyl)heptan-2-yl tetradecanoate
CID 44629799
Methylheptyl isostearate
CID 86200975
i-Propyl 12-methyltetradecanoate
CID 91693380
1-Ethyl-2-methylpropyl 3,13-dimethylpentadecanoate
CID 74936124
1-Methylpropyl-tridecanolide
CID 56936050
Tridecanoic acid, 12-methyl-, 1-methylethyl ester
CID 44515574
i-Propyl 14-methyl-pentadecanoate
CID 53745103
i-Propyl 10-methyl-dodecanoate
CID 91693020
i-Propyl 14-methylhexadecanoate
CID 91693381

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate?
The IUPAC name of tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate (CID 138970754) is tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate.
What is the SMILES notation for tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate?
The canonical SMILES for tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate is CCCCC[C@H](CC[C@H](C)CCCCC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate?
The InChIKey is OZKHHFYISFBZAP-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H52O3Si/c1-11-12-13-17-22(28-29(9,10)25(6,7)8)20-19-21(2)16-14-15-18-23(26)27-24(3,4)5/h21-22H,11-20H2,1-10H3/t21-,22-/m1/s1.
What are the key properties of tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate?
tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate has a molecular weight of 428.77 g/mol, XLogP of 8.28, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate is sourced from PubChem (CID 138970754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).