1-(oxasilinan-2-yl)pentan-1-one

C9H18O2Si — CID 173082144

IUPAC1-(oxasilinan-2-yl)pentan-1-one
SMILESCCCCC(=O)[SiH]1CCCCO1
InChIInChI=1S/C9H18O2Si/c1-2-3-6-9(10)12-8-5-4-7-11-12/h12H,2-8H2,1H3
InChIKeyJPLUCQXKGVDGJZ-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.82
Rot. Bonds4

About 1-(oxasilinan-2-yl)pentan-1-one

1-(oxasilinan-2-yl)pentan-1-one (PubChem CID 173082144) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-(oxasilinan-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(oxasilinan-2-yl)pentan-1-one
PubChem CID173082144
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name1-(oxasilinan-2-yl)pentan-1-one
SMILESCCCCC(=O)[SiH]1CCCCO1
InChIInChI=1S/C9H18O2Si/c1-2-3-6-9(10)12-8-5-4-7-11-12/h12H,2-8H2,1H3
InChIKeyJPLUCQXKGVDGJZ-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxasilinan-2-yl)octan-1-one
CID 173082141
1-(oxasilinan-2-yl)butan-1-one
CID 173082138
1-(oxasilinan-2-yl)propan-1-one
CID 173082161
2-pent-1-en-2-yloxasilinane
CID 173042713
2-propan-2-yloxasilinane;tetradecanoic acid
CID 173217204
CID 174954011
CID 174954011
2-(2-chlorobutan-2-yl)oxasilinane
CID 173289645
ethoxyethane;heptane;oxolane
CID 86588588
dioxane;undecanoic acid
CID 174785577
dioxane;tridecanoic acid
CID 174785517
1-(oxan-2-yl)nonan-1-one
CID 114966896
1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one
CID 141060465

Frequently Asked Questions

What is the IUPAC name of 1-(oxasilinan-2-yl)pentan-1-one?
The IUPAC name of 1-(oxasilinan-2-yl)pentan-1-one (CID 173082144) is 1-(oxasilinan-2-yl)pentan-1-one.
What is the SMILES notation for 1-(oxasilinan-2-yl)pentan-1-one?
The canonical SMILES for 1-(oxasilinan-2-yl)pentan-1-one is CCCCC(=O)[SiH]1CCCCO1.
What is the InChIKey of 1-(oxasilinan-2-yl)pentan-1-one?
The InChIKey is JPLUCQXKGVDGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-2-3-6-9(10)12-8-5-4-7-11-12/h12H,2-8H2,1H3.
What are the key properties of 1-(oxasilinan-2-yl)pentan-1-one?
1-(oxasilinan-2-yl)pentan-1-one has a molecular weight of 186.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxasilinan-2-yl)pentan-1-one is sourced from PubChem (CID 173082144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).