1,1-dimethylsilepan-4-one

C8H16OSi — CID 574917

IUPAC1,1-dimethylsilepan-4-one
SMILESC[Si]1(C)CCCC(=O)CC1
InChIInChI=1S/C8H16OSi/c1-10(2)6-3-4-8(9)5-7-10/h3-7H2,1-2H3
InChIKeyBBDSTPXFTIJXPJ-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.45
Rot. Bonds

About 1,1-dimethylsilepan-4-one

1,1-dimethylsilepan-4-one (PubChem CID 574917) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 1,1-dimethylsilepan-4-one.

Molecular Properties

Compound Name1,1-dimethylsilepan-4-one
PubChem CID574917
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name1,1-dimethylsilepan-4-one
SMILESC[Si]1(C)CCCC(=O)CC1
InChIInChI=1S/C8H16OSi/c1-10(2)6-3-4-8(9)5-7-10/h3-7H2,1-2H3
InChIKeyBBDSTPXFTIJXPJ-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Trimethylsilylhexan-4-one
CID 14112750
1-Trimethylsilylpentan-2-one
CID 12457306
1,1,2,2-Tetramethyldisilepan-5-one
CID 13022131
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
Butyldimethylsilylpentadione
CID 87854103
5-(Trimethylsilyl)-2-pentanone
CID 575386
6-Trimethylsilylhexan-2-one
CID 10080847
(5S)-5-trimethylsilylhexan-3-one
CID 11041187
2-Trimethylsilylpentan-3-one
CID 12465007
2-Tri(propan-2-yl)silylpentan-3-one
CID 13352597
1-(Triethylsilyl)hexan-2-one
CID 15033604
1-[Tert-butyl(dimethyl)silyl]hexan-2-one
CID 15033607

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylsilepan-4-one?
The IUPAC name of 1,1-dimethylsilepan-4-one (CID 574917) is 1,1-dimethylsilepan-4-one.
What is the SMILES notation for 1,1-dimethylsilepan-4-one?
The canonical SMILES for 1,1-dimethylsilepan-4-one is C[Si]1(C)CCCC(=O)CC1.
What is the InChIKey of 1,1-dimethylsilepan-4-one?
The InChIKey is BBDSTPXFTIJXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-10(2)6-3-4-8(9)5-7-10/h3-7H2,1-2H3.
What are the key properties of 1,1-dimethylsilepan-4-one?
1,1-dimethylsilepan-4-one has a molecular weight of 156.30 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilepan-4-one is sourced from PubChem (CID 574917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).