(2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate

C38H76O5Si — CID 628580

IUPAC(2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C38H76O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-36(35-42-44(3,4)5)43-38(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3
InChIKeyVMCHTNYVHHNIHA-UHFFFAOYSA-N
MW641.11 g/mol
LogP12.26
Rot. Bonds34

About (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate

(2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate (PubChem CID 628580) has the molecular formula C38H76O5Si and a molecular weight of 641.11 g/mol. Its IUPAC name is (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate.

Molecular Properties

Compound Name(2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate
PubChem CID628580
Molecular FormulaC38H76O5Si
Molecular Weight641.11 g/mol
Exact Mass640.55
IUPAC Name(2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C38H76O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-36(35-42-44(3,4)5)43-38(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3
InChIKeyVMCHTNYVHHNIHA-UHFFFAOYSA-N
XLogP12.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds34
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.11
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate 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

Tricaprylin
CID 10850
Tricaprin
CID 69310
Tripalmitin
CID 11147
Trilaurin
CID 10851
Tristearin
CID 11146
Triheptanoin
CID 69286
Glyceryl Tribehenate
CID 62726
Trimyristin
CID 11148
Propylene Glycol Dipelargonate
CID 38855
Triarachidin
CID 522017
Propylene Glycol Dicaprylate
CID 94339
Triundecanoin
CID 83574

Frequently Asked Questions

What is the IUPAC name of (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate?
The IUPAC name of (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate (CID 628580) is (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate.
What is the SMILES notation for (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate?
The canonical SMILES for (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate?
The InChIKey is VMCHTNYVHHNIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-36(35-42-44(3,4)5)43-38(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3.
What are the key properties of (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate?
(2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate has a molecular weight of 641.11 g/mol, XLogP of 12.26, 34 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexadecanoyloxy-3-trimethylsilyloxypropyl) hexadecanoate is sourced from PubChem (CID 628580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).