methyl 10-methyl-3-trimethylsilyloxydodecanoate

C17H36O3Si — CID 91741657

IUPACmethyl 10-methyl-3-trimethylsilyloxydodecanoate
SMILESCCC(C)CCCCCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-7-15(2)12-10-8-9-11-13-16(14-17(18)19-3)20-21(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyQENWALQUVAQABV-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.16
Rot. Bonds12

About methyl 10-methyl-3-trimethylsilyloxydodecanoate

methyl 10-methyl-3-trimethylsilyloxydodecanoate (PubChem CID 91741657) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is methyl 10-methyl-3-trimethylsilyloxydodecanoate.

Molecular Properties

Compound Namemethyl 10-methyl-3-trimethylsilyloxydodecanoate
PubChem CID91741657
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Namemethyl 10-methyl-3-trimethylsilyloxydodecanoate
SMILESCCC(C)CCCCCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-7-15(2)12-10-8-9-11-13-16(14-17(18)19-3)20-21(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyQENWALQUVAQABV-UHFFFAOYSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.16
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 methyl 10-methyl-3-trimethylsilyloxydodecanoate 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

Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
10-Methyl-9-methoxy-octadecanoic acid methyl ester
CID 89419592
Trimethylsilyl 3,7,11,15-tetramethylhexadecanoate
CID 594295
Methyl 3-acetyloxy-16-methylheptadecanoate
CID 342515
Trimethylsilyl 10-methyldodecanoate
CID 526083
Trimethylsilyl 12-methyltetradecanoate
CID 526094
16-Methyloctadecanoic acid trimethylsilylester
CID 91747648
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
3-Trimethylsiloxymyristic acid, trimethylsilyl ester
CID 553557
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212

Frequently Asked Questions

What is the IUPAC name of methyl 10-methyl-3-trimethylsilyloxydodecanoate?
The IUPAC name of methyl 10-methyl-3-trimethylsilyloxydodecanoate (CID 91741657) is methyl 10-methyl-3-trimethylsilyloxydodecanoate.
What is the SMILES notation for methyl 10-methyl-3-trimethylsilyloxydodecanoate?
The canonical SMILES for methyl 10-methyl-3-trimethylsilyloxydodecanoate is CCC(C)CCCCCCC(CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 10-methyl-3-trimethylsilyloxydodecanoate?
The InChIKey is QENWALQUVAQABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-7-15(2)12-10-8-9-11-13-16(14-17(18)19-3)20-21(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of methyl 10-methyl-3-trimethylsilyloxydodecanoate?
methyl 10-methyl-3-trimethylsilyloxydodecanoate has a molecular weight of 316.56 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methyl-3-trimethylsilyloxydodecanoate is sourced from PubChem (CID 91741657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).