6-(silinan-1-yl)hexan-2-one

C11H22OSi — CID 173324653

IUPAC6-(silinan-1-yl)hexan-2-one
SMILESCC(=O)CCCC[SiH]1CCCCC1
InChIInChI=1S/C11H22OSi/c1-11(12)7-3-6-10-13-8-4-2-5-9-13/h13H,2-10H2,1H3
InChIKeyBSSWOCWNGLGICN-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.16
Rot. Bonds5

About 6-(silinan-1-yl)hexan-2-one

6-(silinan-1-yl)hexan-2-one (PubChem CID 173324653) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 6-(silinan-1-yl)hexan-2-one.

Molecular Properties

Compound Name6-(silinan-1-yl)hexan-2-one
PubChem CID173324653
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name6-(silinan-1-yl)hexan-2-one
SMILESCC(=O)CCCC[SiH]1CCCCC1
InChIInChI=1S/C11H22OSi/c1-11(12)7-3-6-10-13-8-4-2-5-9-13/h13H,2-10H2,1H3
InChIKeyBSSWOCWNGLGICN-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(silinan-1-yl)hexan-2-one?
The IUPAC name of 6-(silinan-1-yl)hexan-2-one (CID 173324653) is 6-(silinan-1-yl)hexan-2-one.
What is the SMILES notation for 6-(silinan-1-yl)hexan-2-one?
The canonical SMILES for 6-(silinan-1-yl)hexan-2-one is CC(=O)CCCC[SiH]1CCCCC1.
What is the InChIKey of 6-(silinan-1-yl)hexan-2-one?
The InChIKey is BSSWOCWNGLGICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-11(12)7-3-6-10-13-8-4-2-5-9-13/h13H,2-10H2,1H3.
What are the key properties of 6-(silinan-1-yl)hexan-2-one?
6-(silinan-1-yl)hexan-2-one has a molecular weight of 198.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(silinan-1-yl)hexan-2-one is sourced from PubChem (CID 173324653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).