4-triethylsilylpent-4-enyl acetate

C13H26O2Si — CID 101383505

IUPAC4-triethylsilylpent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)[Si](CC)(CC)CC
InChIInChI=1S/C13H26O2Si/c1-6-16(7-2,8-3)12(4)10-9-11-15-13(5)14/h4,6-11H2,1-3,5H3
InChIKeyPSFMROAVIYQPBY-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds8

About 4-triethylsilylpent-4-enyl acetate

4-triethylsilylpent-4-enyl acetate (PubChem CID 101383505) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-triethylsilylpent-4-enyl acetate.

Molecular Properties

Compound Name4-triethylsilylpent-4-enyl acetate
PubChem CID101383505
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name4-triethylsilylpent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)[Si](CC)(CC)CC
InChIInChI=1S/C13H26O2Si/c1-6-16(7-2,8-3)12(4)10-9-11-15-13(5)14/h4,6-11H2,1-3,5H3
InChIKeyPSFMROAVIYQPBY-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 3-methyl-2-(trimethylsilyl)but-3-enoate
CID 12869999
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
4-(2,2,5,5-Tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
CID 53483590
Ethyl 3-trimethylsilylpenta-3,4-dienoate
CID 85804147
[(Z)-5,6-bis(trimethylsilyl)hex-5-enyl] acetate
CID 134966721

Frequently Asked Questions

What is the IUPAC name of 4-triethylsilylpent-4-enyl acetate?
The IUPAC name of 4-triethylsilylpent-4-enyl acetate (CID 101383505) is 4-triethylsilylpent-4-enyl acetate.
What is the SMILES notation for 4-triethylsilylpent-4-enyl acetate?
The canonical SMILES for 4-triethylsilylpent-4-enyl acetate is C=C(CCCOC(C)=O)[Si](CC)(CC)CC.
What is the InChIKey of 4-triethylsilylpent-4-enyl acetate?
The InChIKey is PSFMROAVIYQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-6-16(7-2,8-3)12(4)10-9-11-15-13(5)14/h4,6-11H2,1-3,5H3.
What are the key properties of 4-triethylsilylpent-4-enyl acetate?
4-triethylsilylpent-4-enyl acetate has a molecular weight of 242.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilylpent-4-enyl acetate is sourced from PubChem (CID 101383505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).