methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate

C22H42O4Si — CID 91740956

IUPACmethyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate
SMILESCCCCCC1OC1C(/C=C/CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H42O4Si/c1-6-7-13-16-19-22(25-19)20(26-27(3,4)5)17-14-11-9-8-10-12-15-18-21(23)24-2/h14,17,19-20,22H,6-13,15-16,18H2,1-5H3/b17-14+
InChIKeyJGPCFZCXXCTAPA-SAPNQHFASA-N
MW398.66 g/mol
LogP6.01
Rot. Bonds16

About methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate

methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate (PubChem CID 91740956) has the molecular formula C22H42O4Si and a molecular weight of 398.66 g/mol. Its IUPAC name is methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate.

Molecular Properties

Compound Namemethyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate
PubChem CID91740956
Molecular FormulaC22H42O4Si
Molecular Weight398.66 g/mol
Exact Mass398.29
IUPAC Namemethyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate
SMILESCCCCCC1OC1C(/C=C/CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H42O4Si/c1-6-7-13-16-19-22(25-19)20(26-27(3,4)5)17-14-11-9-8-10-12-15-18-21(23)24-2/h14,17,19-20,22H,6-13,15-16,18H2,1-5H3/b17-14+
InChIKeyJGPCFZCXXCTAPA-SAPNQHFASA-N
XLogP6.01
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 56.01
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate 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

Glycidyl oleate
CID 5354568
Glyceryl diacetate 1-oleate
CID 5363239
(+-)-oxiran-2-ylmethyl (9Z)-hexadec-9-enoate
CID 23624909
2-Methoxyethyl (9Z,12R)-12-(acetyloxy)-9-octadecenoate
CID 5354167
(Oxiran-2-yl)methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 23624907
Glycidyl Linoleate
CID 23624908
(Oxiran-2-yl)methyl octadeca-9,12-dienoate
CID 54043986
11-Hydroperoxy-12,13-epoxy-9-octadecenoic acid
CID 5282862
Glyceryl diacetate 2-oleate
CID 5363238
1-Monooleoylglycerol trimethylsilyl ether
CID 5366386
9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 5366530
2,3-Dimethoxypropyl oleate
CID 89593651

Frequently Asked Questions

What is the IUPAC name of methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate?
The IUPAC name of methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate (CID 91740956) is methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate.
What is the SMILES notation for methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate?
The canonical SMILES for methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate is CCCCCC1OC1C(/C=C/CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate?
The InChIKey is JGPCFZCXXCTAPA-SAPNQHFASA-N. The full InChI is InChI=1S/C22H42O4Si/c1-6-7-13-16-19-22(25-19)20(26-27(3,4)5)17-14-11-9-8-10-12-15-18-21(23)24-2/h14,17,19-20,22H,6-13,15-16,18H2,1-5H3/b17-14+.
What are the key properties of methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate?
methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate has a molecular weight of 398.66 g/mol, XLogP of 6.01, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-11-(3-pentyloxiran-2-yl)-11-trimethylsilyloxyundec-9-enoate is sourced from PubChem (CID 91740956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).