methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate

C31H70O6Si4 — CID 609001

IUPACmethyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate
SMILESCCCCCC(O[Si](C)(C)C)C(CCCCCC(O[Si](C)(C)C)C(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C31H70O6Si4/c1-15-16-18-22-27(34-38(3,4)5)28(35-39(6,7)8)23-19-17-20-24-29(36-40(9,10)11)30(37-41(12,13)14)25-21-26-31(32)33-2/h27-30H,15-26H2,1-14H3
InChIKeyOTCRWNBFQPJOTL-UHFFFAOYSA-N
MW651.24 g/mol
LogP9.74
Rot. Bonds24

About methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate

methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate (PubChem CID 609001) has the molecular formula C31H70O6Si4 and a molecular weight of 651.24 g/mol. Its IUPAC name is methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate.

Molecular Properties

Compound Namemethyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate
PubChem CID609001
Molecular FormulaC31H70O6Si4
Molecular Weight651.24 g/mol
Exact Mass650.42
IUPAC Namemethyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate
SMILESCCCCCC(O[Si](C)(C)C)C(CCCCCC(O[Si](C)(C)C)C(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C31H70O6Si4/c1-15-16-18-22-27(34-38(3,4)5)28(35-39(6,7)8)23-19-17-20-24-29(36-40(9,10)11)30(37-41(12,13)14)25-21-26-31(32)33-2/h27-30H,15-26H2,1-14H3
InChIKeyOTCRWNBFQPJOTL-UHFFFAOYSA-N
XLogP9.74
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.24
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate 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

methyl (5R)-5-trimethylsilyloxyoctacosanoate
CID 162871788
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Methyl (5S,6S)-5,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxoheptanoate
CID 14463532
2,3-Bis[(trimethylsilyl)oxy]propyl icosanoate
CID 537899
2,3-Bis(trimethylsilyloxy)propyl hexadecanoate
CID 552033
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552917
2,3-Bis[(trimethylsilyl)oxy]propyl stearate
CID 553936
2,3-Bis[(trimethylsilyl)oxy]propyl dodecanoate
CID 628819
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
Methyl 5-trimethylsilyloxyeicosanoate
CID 129726579
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
2,3-Bis[(trimethylsilyl)oxy]propyl octanoate
CID 552892

Frequently Asked Questions

What is the IUPAC name of methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate?
The IUPAC name of methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate (CID 609001) is methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate.
What is the SMILES notation for methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate?
The canonical SMILES for methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate is CCCCCC(O[Si](C)(C)C)C(CCCCCC(O[Si](C)(C)C)C(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate?
The InChIKey is OTCRWNBFQPJOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H70O6Si4/c1-15-16-18-22-27(34-38(3,4)5)28(35-39(6,7)8)23-19-17-20-24-29(36-40(9,10)11)30(37-41(12,13)14)25-21-26-31(32)33-2/h27-30H,15-26H2,1-14H3.
What are the key properties of methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate?
methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate has a molecular weight of 651.24 g/mol, XLogP of 9.74, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6,12,13-tetrakis(trimethylsilyloxy)octadecanoate is sourced from PubChem (CID 609001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).