hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate

C26H52O4Si — CID 90904685

IUPAChexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate
SMILESCCCCCCCCCCCC(=O)C[C@@H](O[Si](C)(C)C)C(C)C(=O)OC(C)CCCC
InChIInChI=1S/C26H52O4Si/c1-8-10-12-13-14-15-16-17-18-20-24(27)21-25(30-31(5,6)7)23(4)26(28)29-22(3)19-11-9-2/h22-23,25H,8-21H2,1-7H3/t22?,23?,25-/m1/s1
InChIKeyGRTLCGLAELQVHM-OOEPIQFGSA-N
MW456.78 g/mol
LogP7.84
Rot. Bonds20

About hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate

hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate (PubChem CID 90904685) has the molecular formula C26H52O4Si and a molecular weight of 456.78 g/mol. Its IUPAC name is hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namehexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate
PubChem CID90904685
Molecular FormulaC26H52O4Si
Molecular Weight456.78 g/mol
Exact Mass456.36
IUPAC Namehexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate
SMILESCCCCCCCCCCCC(=O)C[C@@H](O[Si](C)(C)C)C(C)C(=O)OC(C)CCCC
InChIInChI=1S/C26H52O4Si/c1-8-10-12-13-14-15-16-17-18-20-24(27)21-25(30-31(5,6)7)23(4)26(28)29-22(3)19-11-9-2/h22-23,25H,8-21H2,1-7H3/t22?,23?,25-/m1/s1
InChIKeyGRTLCGLAELQVHM-OOEPIQFGSA-N
XLogP7.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate 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

Diethyl (5-methyl-3-oxohexyl)propanedioate
CID 2192522
Decanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, methyl ester
CID 11109446
Diethyl 2,4,6-trioxoheptanedicarboxylate
CID 129879180
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919061
ethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919062
ethyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927880
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927881
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
diethyl 2-[(1S,5R)-3-oxo-5-trimethylsilylcyclohexyl]propanedioate
CID 134998004
Ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 135070686
Diethyl 2-(2-fluoro-3-oxohexadecyl)propanedioate
CID 132521414
Glycerol, 1-C14, 2-i-C15, TMS
CID 91749539

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate?
The IUPAC name of hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate (CID 90904685) is hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate?
The canonical SMILES for hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate is CCCCCCCCCCCC(=O)C[C@@H](O[Si](C)(C)C)C(C)C(=O)OC(C)CCCC.
What is the InChIKey of hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate?
The InChIKey is GRTLCGLAELQVHM-OOEPIQFGSA-N. The full InChI is InChI=1S/C26H52O4Si/c1-8-10-12-13-14-15-16-17-18-20-24(27)21-25(30-31(5,6)7)23(4)26(28)29-22(3)19-11-9-2/h22-23,25H,8-21H2,1-7H3/t22?,23?,25-/m1/s1.
What are the key properties of hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate?
hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate has a molecular weight of 456.78 g/mol, XLogP of 7.84, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl (3R)-2-methyl-5-oxo-3-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 90904685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).