1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one

C14H28O3Si — CID 23514765

IUPAC1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one
SMILESCOC1CCCC(CC(=O)CCC[Si](C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-16-14-9-5-8-13(17-14)11-12(15)7-6-10-18(2,3)4/h13-14H,5-11H2,1-4H3
InChIKeyRIWCVWLWZPUTMZ-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.61
Rot. Bonds7

About 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one

1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one (PubChem CID 23514765) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one.

Molecular Properties

Compound Name1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one
PubChem CID23514765
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one
SMILESCOC1CCCC(CC(=O)CCC[Si](C)(C)C)O1
InChIInChI=1S/C14H28O3Si/c1-16-14-9-5-8-13(17-14)11-12(15)7-6-10-18(2,3)4/h13-14H,5-11H2,1-4H3
InChIKeyRIWCVWLWZPUTMZ-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Oxan-2-yloxy)decan-2-one
CID 10956192
1-(6-Methoxyoxan-2-yl)butan-2-one
CID 23514766
5-[Chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one
CID 23514785
10-(Oxan-2-yloxy)decane-2,8-dione
CID 70608611
1-(6-Methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one;2-methylpropane;4-trimethylsilylbutanal
CID 157437078
1-[(4S)-2-methyl-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
CID 11002455
methyl 2-[(2R,4R,6S)-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxan-2-yl]acetate
CID 11221338
1-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]propan-2-one
CID 177537276

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one?
The IUPAC name of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one (CID 23514765) is 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one.
What is the SMILES notation for 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one?
The canonical SMILES for 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one is COC1CCCC(CC(=O)CCC[Si](C)(C)C)O1.
What is the InChIKey of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one?
The InChIKey is RIWCVWLWZPUTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-16-14-9-5-8-13(17-14)11-12(15)7-6-10-18(2,3)4/h13-14H,5-11H2,1-4H3.
What are the key properties of 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one?
1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one has a molecular weight of 272.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyoxan-2-yl)-5-trimethylsilylpentan-2-one is sourced from PubChem (CID 23514765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).