6-trimethylsilyloxyhexyl 2-methylprop-2-enoate

C13H26O3Si — CID 86065689

IUPAC6-trimethylsilyloxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCO[Si](C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2)13(14)15-10-8-6-7-9-11-16-17(3,4)5/h1,6-11H2,2-5H3
InChIKeyIJPZFPCMPQPHSS-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds9

About 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate

6-trimethylsilyloxyhexyl 2-methylprop-2-enoate (PubChem CID 86065689) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-trimethylsilyloxyhexyl 2-methylprop-2-enoate
PubChem CID86065689
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name6-trimethylsilyloxyhexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCO[Si](C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2)13(14)15-10-8-6-7-9-11-16-17(3,4)5/h1,6-11H2,2-5H3
InChIKeyIJPZFPCMPQPHSS-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348
12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
CID 156681481
10-[iodo(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 156681385
14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
CID 156681283
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817

Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate?
The IUPAC name of 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate (CID 86065689) is 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCO[Si](C)(C)C.
What is the InChIKey of 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate?
The InChIKey is IJPZFPCMPQPHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(2)13(14)15-10-8-6-7-9-11-16-17(3,4)5/h1,6-11H2,2-5H3.
What are the key properties of 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate?
6-trimethylsilyloxyhexyl 2-methylprop-2-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilyloxyhexyl 2-methylprop-2-enoate is sourced from PubChem (CID 86065689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).