4-[diethoxy(methyl)silyl]pent-4-enyl acetate

C12H24O4Si — CID 12014239

IUPAC4-[diethoxy(methyl)silyl]pent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-15-17(5,16-7-2)11(3)9-8-10-14-12(4)13/h3,6-10H2,1-2,4-5H3
InChIKeyKSZTVNDNRLOKPA-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.57
Rot. Bonds9

About 4-[diethoxy(methyl)silyl]pent-4-enyl acetate

4-[diethoxy(methyl)silyl]pent-4-enyl acetate (PubChem CID 12014239) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-[diethoxy(methyl)silyl]pent-4-enyl acetate.

Molecular Properties

Compound Name4-[diethoxy(methyl)silyl]pent-4-enyl acetate
PubChem CID12014239
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name4-[diethoxy(methyl)silyl]pent-4-enyl acetate
SMILESC=C(CCCOC(C)=O)[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-15-17(5,16-7-2)11(3)9-8-10-14-12(4)13/h3,6-10H2,1-2,4-5H3
InChIKeyKSZTVNDNRLOKPA-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.57
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'}

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Related Compounds

Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
4-(2,2,5,5-Tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
CID 53483590
[(Z)-5,6-bis(trimethylsilyl)hex-5-enyl] acetate
CID 134966721
3-(Trimethylsilyl)-4-pentenoic acid ethyl ester
CID 14214593
2-Trimethylsilylethyl pent-4-enoate
CID 15360091
7-[Tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienyl acetate
CID 57291525
2-[Dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate
CID 58989051
[(E)-4-triethoxysilylbut-3-enyl] acetate
CID 59913481
[(Z)-5-trimethylsilylpent-4-enyl] acetate
CID 59990255
4-Triethoxysilylbut-3-enyl acetate
CID 72594677

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxy(methyl)silyl]pent-4-enyl acetate?
The IUPAC name of 4-[diethoxy(methyl)silyl]pent-4-enyl acetate (CID 12014239) is 4-[diethoxy(methyl)silyl]pent-4-enyl acetate.
What is the SMILES notation for 4-[diethoxy(methyl)silyl]pent-4-enyl acetate?
The canonical SMILES for 4-[diethoxy(methyl)silyl]pent-4-enyl acetate is C=C(CCCOC(C)=O)[Si](C)(OCC)OCC.
What is the InChIKey of 4-[diethoxy(methyl)silyl]pent-4-enyl acetate?
The InChIKey is KSZTVNDNRLOKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-6-15-17(5,16-7-2)11(3)9-8-10-14-12(4)13/h3,6-10H2,1-2,4-5H3.
What are the key properties of 4-[diethoxy(methyl)silyl]pent-4-enyl acetate?
4-[diethoxy(methyl)silyl]pent-4-enyl acetate has a molecular weight of 260.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(methyl)silyl]pent-4-enyl acetate is sourced from PubChem (CID 12014239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).