1-trimethoxysilylheptan-4-one

C10H22O4Si — CID 58479057

IUPAC1-trimethoxysilylheptan-4-one
SMILESCCCC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-5-7-10(11)8-6-9-15(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyIXYBLBNKUGYXLF-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.01
Rot. Bonds9

About 1-trimethoxysilylheptan-4-one

1-trimethoxysilylheptan-4-one (PubChem CID 58479057) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-trimethoxysilylheptan-4-one.

Molecular Properties

Compound Name1-trimethoxysilylheptan-4-one
PubChem CID58479057
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name1-trimethoxysilylheptan-4-one
SMILESCCCC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-5-7-10(11)8-6-9-15(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyIXYBLBNKUGYXLF-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Kzympbvuquzzmg-uhfffaoysa-
CID 50936630
6-Triethoxysilylhexan-2-one
CID 140446900
3-[Dimethyl(propan-2-yloxy)silyl]heptan-4-one
CID 72740800
2-[Dimethyl(propan-2-yloxy)silyl]hexan-3-one
CID 134890058
5-Triethoxysilylpentan-2-one
CID 13555685
7-Trimethoxysilylheptan-3-one
CID 23400812
6-[Diethoxy(ethyl)silyl]hexane-2,3-dione
CID 58260439
6-(Ethoxy-ethyl-methylsilyl)hexane-2,3-dione
CID 58260453
7-Trimethoxysilylheptan-2-one
CID 58323978
6-[Dimethoxy(methyl)silyl]hexan-2-one
CID 58444107
5-Methyl-1-trimethoxysilylheptan-4-one
CID 58479045
5-[Methoxy(dimethyl)silyl]pentan-2-one
CID 59371927

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylheptan-4-one?
The IUPAC name of 1-trimethoxysilylheptan-4-one (CID 58479057) is 1-trimethoxysilylheptan-4-one.
What is the SMILES notation for 1-trimethoxysilylheptan-4-one?
The canonical SMILES for 1-trimethoxysilylheptan-4-one is CCCC(=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylheptan-4-one?
The InChIKey is IXYBLBNKUGYXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-5-7-10(11)8-6-9-15(12-2,13-3)14-4/h5-9H2,1-4H3.
What are the key properties of 1-trimethoxysilylheptan-4-one?
1-trimethoxysilylheptan-4-one has a molecular weight of 234.37 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylheptan-4-one is sourced from PubChem (CID 58479057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).