4-methoxybut-1-ene;trimethylsilyl pent-4-enoate

C13H26O3Si — CID 91194515

IUPAC4-methoxybut-1-ene;trimethylsilyl pent-4-enoate
SMILESC=CCCC(=O)O[Si](C)(C)C.C=CCCOC
InChIInChI=1S/C8H16O2Si.C5H10O/c1-5-6-7-8(9)10-11(2,3)4;1-3-4-5-6-2/h5H,1,6-7H2,2-4H3;3H,1,4-5H2,2H3
InChIKeyYTIJSIXGJPRPIK-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.54
Rot. Bonds7

About 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate

4-methoxybut-1-ene;trimethylsilyl pent-4-enoate (PubChem CID 91194515) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate.

Molecular Properties

Compound Name4-methoxybut-1-ene;trimethylsilyl pent-4-enoate
PubChem CID91194515
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name4-methoxybut-1-ene;trimethylsilyl pent-4-enoate
SMILESC=CCCC(=O)O[Si](C)(C)C.C=CCCOC
InChIInChI=1S/C8H16O2Si.C5H10O/c1-5-6-7-8(9)10-11(2,3)4;1-3-4-5-6-2/h5H,1,6-7H2,2-4H3;3H,1,4-5H2,2H3
InChIKeyYTIJSIXGJPRPIK-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.54
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
Trimethylsilyl 4-pentenoate
CID 554477
ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
3-(Trimethylsilyl)-4-pentenoic acid ethyl ester
CID 14214593
Methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
CID 13470495
2-Trimethylsilylethyl pent-4-enoate
CID 15360091
Methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 54374029

Frequently Asked Questions

What is the IUPAC name of 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate?
The IUPAC name of 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate (CID 91194515) is 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate.
What is the SMILES notation for 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate?
The canonical SMILES for 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate is C=CCCC(=O)O[Si](C)(C)C.C=CCCOC.
What is the InChIKey of 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate?
The InChIKey is YTIJSIXGJPRPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si.C5H10O/c1-5-6-7-8(9)10-11(2,3)4;1-3-4-5-6-2/h5H,1,6-7H2,2-4H3;3H,1,4-5H2,2H3.
What are the key properties of 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate?
4-methoxybut-1-ene;trimethylsilyl pent-4-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybut-1-ene;trimethylsilyl pent-4-enoate is sourced from PubChem (CID 91194515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).