11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate

C28H56O4Si — CID 142567348

IUPAC11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCC[Si](C)(OCCCCCC)OCCCCCC
InChIInChI=1S/C28H56O4Si/c1-6-8-10-20-24-31-33(5,32-25-21-11-9-7-2)26-22-18-16-14-12-13-15-17-19-23-30-28(29)27(3)4/h3,6-26H2,1-2,4-5H3
InChIKeyBMADGTIVEHVOID-UHFFFAOYSA-N
MW484.84 g/mol
LogP8.88
Rot. Bonds25

About 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate

11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate (PubChem CID 142567348) has the molecular formula C28H56O4Si and a molecular weight of 484.84 g/mol. Its IUPAC name is 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
PubChem CID142567348
Molecular FormulaC28H56O4Si
Molecular Weight484.84 g/mol
Exact Mass484.39
IUPAC Name11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCC[Si](C)(OCCCCCC)OCCCCCC
InChIInChI=1S/C28H56O4Si/c1-6-8-10-20-24-31-33(5,32-25-21-11-9-7-2)26-22-18-16-14-12-13-15-17-19-23-30-28(29)27(3)4/h3,6-26H2,1-2,4-5H3
InChIKeyBMADGTIVEHVOID-UHFFFAOYSA-N
XLogP8.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.84
LogP ≤ 58.88
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

octatetracontyl 2-methylprop-2-enoate
CID 141233444
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
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 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 161498189
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
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
6-trimethylsilyloxyhexyl 2-methylprop-2-enoate
CID 86065689
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 18508448
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922

Frequently Asked Questions

What is the IUPAC name of 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate?
The IUPAC name of 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate (CID 142567348) is 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate.
What is the SMILES notation for 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate?
The canonical SMILES for 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCC[Si](C)(OCCCCCC)OCCCCCC.
What is the InChIKey of 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate?
The InChIKey is BMADGTIVEHVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O4Si/c1-6-8-10-20-24-31-33(5,32-25-21-11-9-7-2)26-22-18-16-14-12-13-15-17-19-23-30-28(29)27(3)4/h3,6-26H2,1-2,4-5H3.
What are the key properties of 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate?
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate has a molecular weight of 484.84 g/mol, XLogP of 8.88, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate is sourced from PubChem (CID 142567348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).