methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate

C24H48O4Si — CID 91696955

IUPACmethyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate
SMILESCCCCCC1OC1CCCCCCCCC(CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/c1-6-7-12-18-22-23(27-22)19-14-11-9-8-10-13-16-21(28-29(3,4)5)17-15-20-24(25)26-2/h21-23H,6-20H2,1-5H3
InChIKeyJHIVVBWQSDZQIS-UHFFFAOYSA-N
MW428.73 g/mol
LogP7.02
Rot. Bonds19

About methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate

methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate (PubChem CID 91696955) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate.

Molecular Properties

Compound Namemethyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate
PubChem CID91696955
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Namemethyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate
SMILESCCCCCC1OC1CCCCCCCCC(CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/c1-6-7-12-18-22-23(27-22)19-14-11-9-8-10-13-16-21(28-29(3,4)5)17-15-20-24(25)26-2/h21-23H,6-20H2,1-5H3
InChIKeyJHIVVBWQSDZQIS-UHFFFAOYSA-N
XLogP7.02
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 57.02
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate 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 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391
methyl (9R)-9-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undecanoate
CID 11976908
methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
methyl 9,10,12-tris(trimethylsilyloxy)octadecanoate
CID 71372132
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 16-[(2S,3R)-3-ethyloxiran-2-yl]hexadecanoate
CID 53309116
methyl (13R)-13-methoxynonadecanoate
CID 163048020
methyl 5-[5-trimethylsilyloxy-4-(3-trimethylsilyloxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoate
CID 582337

Frequently Asked Questions

What is the IUPAC name of methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate?
The IUPAC name of methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate (CID 91696955) is methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate.
What is the SMILES notation for methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate?
The canonical SMILES for methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate is CCCCCC1OC1CCCCCCCCC(CCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate?
The InChIKey is JHIVVBWQSDZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-6-7-12-18-22-23(27-22)19-14-11-9-8-10-13-16-21(28-29(3,4)5)17-15-20-24(25)26-2/h21-23H,6-20H2,1-5H3.
What are the key properties of methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate?
methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate has a molecular weight of 428.73 g/mol, XLogP of 7.02, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate is sourced from PubChem (CID 91696955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).