6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one

C13H24O3Si — CID 173037940

IUPAC6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one
SMILESC=CC(=O)CCC(OCCC)[SiH]1CCCCO1
InChIInChI=1S/C13H24O3Si/c1-3-9-15-13(8-7-12(14)4-2)17-11-6-5-10-16-17/h4,13,17H,2-3,5-11H2,1H3
InChIKeyJAPLSBPTVCGYAE-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.39
Rot. Bonds8

About 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one

6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one (PubChem CID 173037940) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one.

Molecular Properties

Compound Name6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one
PubChem CID173037940
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one
SMILESC=CC(=O)CCC(OCCC)[SiH]1CCCCO1
InChIInChI=1S/C13H24O3Si/c1-3-9-15-13(8-7-12(14)4-2)17-11-6-5-10-16-17/h4,13,17H,2-3,5-11H2,1H3
InChIKeyJAPLSBPTVCGYAE-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-5-[1-(oxasilinan-2-yl)propoxy]pent-1-en-3-one
CID 173056367
2-propan-2-yloxasilinane;tetradecanoic acid
CID 173217204
6-methylnon-1-en-3-one
CID 173408928
6-ethyloct-1-en-3-one
CID 83963336
1-(oxasilinan-2-yl)butan-1-one
CID 173082138
2-hept-6-en-2-yloxasilinane
CID 173367365
6-(methoxymethyl)dec-1-en-3-one
CID 123986515
2-(2-methylpent-1-en-3-yl)oxasilinane
CID 173388284
1-(oxasilinan-2-yl)propan-1-amine
CID 173013581
1-(oxasilinan-2-yl)ethane-1,2-diol
CID 173483101
6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one
CID 140528250
2-(1-fluoroprop-2-enyl)oxasilinane
CID 173079753

Frequently Asked Questions

What is the IUPAC name of 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one?
The IUPAC name of 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one (CID 173037940) is 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one.
What is the SMILES notation for 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one?
The canonical SMILES for 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one is C=CC(=O)CCC(OCCC)[SiH]1CCCCO1.
What is the InChIKey of 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one?
The InChIKey is JAPLSBPTVCGYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-3-9-15-13(8-7-12(14)4-2)17-11-6-5-10-16-17/h4,13,17H,2-3,5-11H2,1H3.
What are the key properties of 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one?
6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one has a molecular weight of 256.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one is sourced from PubChem (CID 173037940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).