6-[dimethoxy(methyl)silyl]hexan-2-one

C9H20O3Si — CID 58444107

IUPAC6-[dimethoxy(methyl)silyl]hexan-2-one
SMILESCO[Si](C)(CCCCC(C)=O)OC
InChIInChI=1S/C9H20O3Si/c1-9(10)7-5-6-8-13(4,11-2)12-3/h5-8H2,1-4H3
InChIKeyKHGWLQRYEYQHFS-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.11
Rot. Bonds7

About 6-[dimethoxy(methyl)silyl]hexan-2-one

6-[dimethoxy(methyl)silyl]hexan-2-one (PubChem CID 58444107) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is 6-[dimethoxy(methyl)silyl]hexan-2-one.

Molecular Properties

Compound Name6-[dimethoxy(methyl)silyl]hexan-2-one
PubChem CID58444107
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name6-[dimethoxy(methyl)silyl]hexan-2-one
SMILESCO[Si](C)(CCCCC(C)=O)OC
InChIInChI=1S/C9H20O3Si/c1-9(10)7-5-6-8-13(4,11-2)12-3/h5-8H2,1-4H3
InChIKeyKHGWLQRYEYQHFS-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[dimethoxy(methyl)silyl]hexan-2-one?
The IUPAC name of 6-[dimethoxy(methyl)silyl]hexan-2-one (CID 58444107) is 6-[dimethoxy(methyl)silyl]hexan-2-one.
What is the SMILES notation for 6-[dimethoxy(methyl)silyl]hexan-2-one?
The canonical SMILES for 6-[dimethoxy(methyl)silyl]hexan-2-one is CO[Si](C)(CCCCC(C)=O)OC.
What is the InChIKey of 6-[dimethoxy(methyl)silyl]hexan-2-one?
The InChIKey is KHGWLQRYEYQHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-9(10)7-5-6-8-13(4,11-2)12-3/h5-8H2,1-4H3.
What are the key properties of 6-[dimethoxy(methyl)silyl]hexan-2-one?
6-[dimethoxy(methyl)silyl]hexan-2-one has a molecular weight of 204.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethoxy(methyl)silyl]hexan-2-one is sourced from PubChem (CID 58444107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).