5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one

C14H28O4Si — CID 142138695

IUPAC5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCO[Si](C)(OCC)C(O)CCCC
InChIInChI=1S/C14H28O4Si/c1-6-8-9-14(16)19(5,17-7-2)18-11-10-13(15)12(3)4/h14,16H,3,6-11H2,1-2,4-5H3
InChIKeyNTRQEXHPORQEKC-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.74
Rot. Bonds11

About 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one

5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one (PubChem CID 142138695) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one
PubChem CID142138695
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCO[Si](C)(OCC)C(O)CCCC
InChIInChI=1S/C14H28O4Si/c1-6-8-9-14(16)19(5,17-7-2)18-11-10-13(15)12(3)4/h14,16H,3,6-11H2,1-2,4-5H3
InChIKeyNTRQEXHPORQEKC-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[diethoxy(methyl)silyl]nonyl 2-methylprop-2-enoate
CID 162767548
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
CID 150062976
(4-hydroxy-4-triethoxysilylbutyl) 2-methylprop-2-enoate
CID 175600409
2-methyloct-1-en-3-one
CID 12585814
2-methylhentriacont-1-en-3-one
CID 153436335
2-methyltridec-1-en-3-one
CID 91110358
2-methylnonadec-1-en-3-one
CID 150628128
ethane;2-methyldodec-1-en-3-one
CID 143443601
(4-methyl-3-oxopent-4-enyl) butanoate
CID 170015933
6-amino-4-[diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
CID 87328231
6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione
CID 159462931
heptane;2-methylpent-1-en-3-one
CID 142189704

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one?
The IUPAC name of 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one (CID 142138695) is 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one?
The canonical SMILES for 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one is C=C(C)C(=O)CCO[Si](C)(OCC)C(O)CCCC.
What is the InChIKey of 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one?
The InChIKey is NTRQEXHPORQEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-6-8-9-14(16)19(5,17-7-2)18-11-10-13(15)12(3)4/h14,16H,3,6-11H2,1-2,4-5H3.
What are the key properties of 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one?
5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one has a molecular weight of 288.46 g/mol, XLogP of 2.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy-(1-hydroxypentyl)-methylsilyl]oxy-2-methylpent-1-en-3-one is sourced from PubChem (CID 142138695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).