(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate

C37H74O5Si — CID 91751325

IUPAC(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C37H74O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-35(42-43(3,4)5)33-40-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3
InChIKeyWIPSRFKATDYDMH-UHFFFAOYSA-N
MW627.08 g/mol
LogP11.87
Rot. Bonds33

About (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate

(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate (PubChem CID 91751325) has the molecular formula C37H74O5Si and a molecular weight of 627.08 g/mol. Its IUPAC name is (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate.

Molecular Properties

Compound Name(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
PubChem CID91751325
Molecular FormulaC37H74O5Si
Molecular Weight627.08 g/mol
Exact Mass626.53
IUPAC Name(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C37H74O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-35(42-43(3,4)5)33-40-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3
InChIKeyWIPSRFKATDYDMH-UHFFFAOYSA-N
XLogP11.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds33
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.08
LogP ≤ 511.87
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 (3-pentadecanoyloxy-2-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

2,3-bis(trimethylsilyloxy)propyl nonadecanoate
CID 634380
2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate
CID 91747627
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] icosanoate
CID 131754071
(2-octadecoxy-3-tetracosanoyloxypropyl) tetracosanoate
CID 131758543
(2-heptacosanoyloxy-3-hexadecanoyloxypropyl) heptacosanoate
CID 165185426
[(2S)-1-heptadecanoyloxy-3-tetradecanoyloxypropan-2-yl] docosanoate
CID 131808878
(2-icosanoyloxy-3-nonadecanoyloxypropyl) tricosanoate
CID 165222127
(2-docosanoyloxy-3-nonadecanoyloxypropyl) dotriacontanoate
CID 165319979
(2-nonadecanoyloxy-3-octadecanoyloxypropyl) pentatriacontanoate
CID 165300955
[(2S)-3-decanoyloxy-2-heptanoyloxypropyl] tridecanoate
CID 146171230
[(2R)-3-pentadecanoyloxy-2-tetradecanoyloxypropyl] henicosanoate
CID 131773792
[(2R)-1-octanoyloxy-3-tridecanoyloxypropan-2-yl] octadecanoate
CID 131806215

Frequently Asked Questions

What is the IUPAC name of (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate?
The IUPAC name of (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate (CID 91751325) is (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate.
What is the SMILES notation for (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate?
The canonical SMILES for (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)O[Si](C)(C)C.
What is the InChIKey of (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate?
The InChIKey is WIPSRFKATDYDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-35(42-43(3,4)5)33-40-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3.
What are the key properties of (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate?
(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate has a molecular weight of 627.08 g/mol, XLogP of 11.87, 33 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate is sourced from PubChem (CID 91751325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).