methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate

C16H32O3Si — CID 100916415

IUPACmethyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate
SMILESCCCCCC(/C=C/O[Si](C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C16H32O3Si/c1-8-9-10-11-14(12-13-19-20(5,6)7)16(2,3)15(17)18-4/h12-14H,8-11H2,1-7H3/b13-12+
InChIKeyXIAZPFNQGHWDQL-OUKQBFOZSA-N
MW300.51 g/mol
LogP4.75
Rot. Bonds9

About methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate

methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate (PubChem CID 100916415) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate
PubChem CID100916415
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Namemethyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate
SMILESCCCCCC(/C=C/O[Si](C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C16H32O3Si/c1-8-9-10-11-14(12-13-19-20(5,6)7)16(2,3)15(17)18-4/h12-14H,8-11H2,1-7H3/b13-12+
InChIKeyXIAZPFNQGHWDQL-OUKQBFOZSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
CID 134844353
Butyl 2-propan-2-yldec-9-enoate
CID 17825022
Propyl 3-methyl-3-(2-methylpropyl)dec-9-enoate
CID 17825162
[Diethoxy(methyl)silyl] 2-ethenylundecanoate
CID 54245372
Trimethylsilyl 2-ethenylundecanoate
CID 54439098
Triethylsilyl 10-ethylbicyclo[7.2.2]tridec-12-ene-10-carboxylate
CID 69621197
Oct-1-enyl 2-(2-methylpropyl)nonanoate
CID 88542287
Oct-1-enyl 2-propan-2-yldodecanoate
CID 89405816
Methyl 2-methyl-2-undec-10-enyltridec-12-enoate
CID 101736601
2,3,3-Trimethyldodec-11-enoyl 2,3,3-trimethyldodec-11-enoate
CID 139914246
Oct-7-enyl 2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoate
CID 141524629
Heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate
CID 174788817

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate (CID 100916415) is methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate is CCCCCC(/C=C/O[Si](C)(C)C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The InChIKey is XIAZPFNQGHWDQL-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-9-10-11-14(12-13-19-20(5,6)7)16(2,3)15(17)18-4/h12-14H,8-11H2,1-7H3/b13-12+.
What are the key properties of methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate?
methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate has a molecular weight of 300.51 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(E)-2-trimethylsilyloxyethenyl]octanoate is sourced from PubChem (CID 100916415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).