4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate

C15H30O3Si — CID 140668251

IUPAC4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](CCC)(CCC)OC
InChIInChI=1S/C15H30O3Si/c1-6-11-19(17-5,12-7-2)13-9-8-10-18-15(16)14(3)4/h3,6-13H2,1-2,4-5H3
InChIKeyCXHCBBAMAOMEFA-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds11

About 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate

4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate (PubChem CID 140668251) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
PubChem CID140668251
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC[Si](CCC)(CCC)OC
InChIInChI=1S/C15H30O3Si/c1-6-11-19(17-5,12-7-2)13-9-8-10-18-15(16)14(3)4/h3,6-13H2,1-2,4-5H3
InChIKeyCXHCBBAMAOMEFA-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.30
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

5-[ethoxy(dipropyl)silyl]pentyl 2-methylprop-2-enoate
CID 140668073
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-[dipropyl(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18739228
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
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
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
octatetracontyl 2-methylprop-2-enoate
CID 141233444
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
3-[dimethyl(propyl)silyl]propyl 2-methylprop-2-enoate
CID 139977940
2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate
CID 171058419

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate (CID 140668251) is 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC[Si](CCC)(CCC)OC.
What is the InChIKey of 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate?
The InChIKey is CXHCBBAMAOMEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-6-11-19(17-5,12-7-2)13-9-8-10-18-15(16)14(3)4/h3,6-13H2,1-2,4-5H3.
What are the key properties of 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate?
4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 140668251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).