4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one

C13H26O5Si — CID 156790524

IUPAC4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)C(C)O[Si](OCC)(OCC)C(O)CC
InChIInChI=1S/C13H26O5Si/c1-7-12(14)19(16-8-2,17-9-3)18-11(6)13(15)10(4)5/h11-12,14H,4,7-9H2,1-3,5-6H3
InChIKeyPPZAIBHWIGNHJD-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.86
Rot. Bonds10

About 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one

4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one (PubChem CID 156790524) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one
PubChem CID156790524
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)C(C)O[Si](OCC)(OCC)C(O)CC
InChIInChI=1S/C13H26O5Si/c1-7-12(14)19(16-8-2,17-9-3)18-11(6)13(15)10(4)5/h11-12,14H,4,7-9H2,1-3,5-6H3
InChIKeyPPZAIBHWIGNHJD-UHFFFAOYSA-N
XLogP1.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
CID 175600409
2-triethoxysilylpropanoate
CID 22068871
1-hydroxy-1-triethoxysilylbut-3-en-2-one
CID 174737779
1,1-diethoxy-3-methylbut-3-en-2-one
CID 79495451
4-triethoxysilylpentyl 2-methylprop-2-enoate
CID 87402271
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
CID 141086045
2-methylidene-3-triethoxysilylpentanamide
CID 87348012
4-(4-methyl-3-oxopent-4-en-2-yl)oxy-4-oxobutanoic acid
CID 18388488
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
CID 87328231
4-bis[(4-methyl-3-oxopent-4-en-2-yl)oxy]bismuthanyloxy-2-methylpent-1-en-3-one;tetrakis(4-hydroxy-2-methylpent-1-en-3-one);titanium
CID 139984214

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one?
The IUPAC name of 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one (CID 156790524) is 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one.
What is the SMILES notation for 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one?
The canonical SMILES for 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one is C=C(C)C(=O)C(C)O[Si](OCC)(OCC)C(O)CC.
What is the InChIKey of 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one?
The InChIKey is PPZAIBHWIGNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-7-12(14)19(16-8-2,17-9-3)18-11(6)13(15)10(4)5/h11-12,14H,4,7-9H2,1-3,5-6H3.
What are the key properties of 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one?
4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one has a molecular weight of 290.43 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(1-hydroxypropyl)silyl]oxy-2-methylpent-1-en-3-one is sourced from PubChem (CID 156790524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).