methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate

C22H44O4Si — CID 554388

IUPACmethyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate
SMILESCOC(=O)CCCCCCCC1OC1CCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C22H44O4Si/c1-24-22(23)18-14-10-7-9-13-17-21-20(26-21)16-12-8-5-6-11-15-19-25-27(2,3)4/h20-21H,5-19H2,1-4H3
InChIKeyCEOPGRLHKCOWTE-UHFFFAOYSA-N
MW400.68 g/mol
LogP6.24
Rot. Bonds18

About methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate

methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate (PubChem CID 554388) has the molecular formula C22H44O4Si and a molecular weight of 400.68 g/mol. Its IUPAC name is methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate.

Molecular Properties

Compound Namemethyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate
PubChem CID554388
Molecular FormulaC22H44O4Si
Molecular Weight400.68 g/mol
Exact Mass400.30
IUPAC Namemethyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate
SMILESCOC(=O)CCCCCCCC1OC1CCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C22H44O4Si/c1-24-22(23)18-14-10-7-9-13-17-21-20(26-21)16-12-8-5-6-11-15-19-25-27(2,3)4/h20-21H,5-19H2,1-4H3
InChIKeyCEOPGRLHKCOWTE-UHFFFAOYSA-N
XLogP6.24
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 56.24
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 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate with MolForge

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Related Compounds

methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
methyl 16-[(2S,3R)-3-ethyloxiran-2-yl]hexadecanoate
CID 53309116
methyl 6-(3-formyloxiran-2-yl)hexanoate
CID 156679498
methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-8-enoate
CID 87560636
methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate
CID 91696955
methyl (9R)-9-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undecanoate
CID 11976908
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
2-[9-(3-propyloxiran-2-yl)nonanoyloxy]ethyl 9-(3-propyloxiran-2-yl)nonanoate
CID 101288783
methyl 8-[(2S,3S)-3-octyloxiran-2-yl]octanoate;methyl 8-[(2R,3R)-2-octyl-4-oxooxetan-3-yl]octanoate
CID 158480835
methanamine;methyl (5Z,11Z)-16-(3-ethyloxiran-2-yl)hexadeca-5,11-dienoate;methyl 16-(3-ethyloxiran-2-yl)hexadecanoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-5-enoate;methyl (Z)-16-(3-ethyloxiran-2-yl)hexadec-11-enoate;molecular oxygen
CID 157123648
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate?
The IUPAC name of methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate (CID 554388) is methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate.
What is the SMILES notation for methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate?
The canonical SMILES for methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate is COC(=O)CCCCCCCC1OC1CCCCCCCCO[Si](C)(C)C.
What is the InChIKey of methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate?
The InChIKey is CEOPGRLHKCOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4Si/c1-24-22(23)18-14-10-7-9-13-17-21-20(26-21)16-12-8-5-6-11-15-19-25-27(2,3)4/h20-21H,5-19H2,1-4H3.
What are the key properties of methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate?
methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate has a molecular weight of 400.68 g/mol, XLogP of 6.24, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[3-(8-trimethylsilyloxyoctyl)oxiran-2-yl]octanoate is sourced from PubChem (CID 554388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).