2-methyl-5-trimethoxysilylpent-1-en-1-one

C9H18O4Si — CID 90731802

IUPAC2-methyl-5-trimethoxysilylpent-1-en-1-one
SMILESCO[Si](CCCC(C)=C=O)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-9(8-10)6-5-7-14(11-2,12-3)13-4/h5-7H2,1-4H3
InChIKeyNRAGOXSLTXCDAV-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.42
Rot. Bonds7

About 2-methyl-5-trimethoxysilylpent-1-en-1-one

2-methyl-5-trimethoxysilylpent-1-en-1-one (PubChem CID 90731802) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-methyl-5-trimethoxysilylpent-1-en-1-one.

Molecular Properties

Compound Name2-methyl-5-trimethoxysilylpent-1-en-1-one
PubChem CID90731802
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-methyl-5-trimethoxysilylpent-1-en-1-one
SMILESCO[Si](CCCC(C)=C=O)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-9(8-10)6-5-7-14(11-2,12-3)13-4/h5-7H2,1-4H3
InChIKeyNRAGOXSLTXCDAV-UHFFFAOYSA-N
XLogP1.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-trimethoxysilylhexan-3-one
CID 154355591
4-trimethoxysilylbutanehydrazide
CID 12002198
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
2-methoxyethyl 4-trimethoxysilylbutanoate
CID 58986420
2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
propyl 4-trimethoxysilylbutanoate
CID 174313237
10-trimethoxysilyldecanethioic S-acid
CID 87672120
1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
CID 141039341
17-isocyanatoheptadecyl(trimethoxy)silane
CID 87683791
16-isocyanatohexadecyl(trimethoxy)silane
CID 87683661
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
ethyl 2-methylidene-5-trimethoxysilylpentanoate
CID 25168029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-trimethoxysilylpent-1-en-1-one?
The IUPAC name of 2-methyl-5-trimethoxysilylpent-1-en-1-one (CID 90731802) is 2-methyl-5-trimethoxysilylpent-1-en-1-one.
What is the SMILES notation for 2-methyl-5-trimethoxysilylpent-1-en-1-one?
The canonical SMILES for 2-methyl-5-trimethoxysilylpent-1-en-1-one is CO[Si](CCCC(C)=C=O)(OC)OC.
What is the InChIKey of 2-methyl-5-trimethoxysilylpent-1-en-1-one?
The InChIKey is NRAGOXSLTXCDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-9(8-10)6-5-7-14(11-2,12-3)13-4/h5-7H2,1-4H3.
What are the key properties of 2-methyl-5-trimethoxysilylpent-1-en-1-one?
2-methyl-5-trimethoxysilylpent-1-en-1-one has a molecular weight of 218.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-trimethoxysilylpent-1-en-1-one is sourced from PubChem (CID 90731802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).