1-trimethylsilylpentan-1-one

C8H18OSi — CID 12829471

IUPAC1-trimethylsilylpentan-1-one
SMILESCCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-5-6-7-8(9)10(2,3)4/h5-7H2,1-4H3
InChIKeyBPQAENXNMHIDAA-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.62
Rot. Bonds4

About 1-trimethylsilylpentan-1-one

1-trimethylsilylpentan-1-one (PubChem CID 12829471) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 1-trimethylsilylpentan-1-one.

Molecular Properties

Compound Name1-trimethylsilylpentan-1-one
PubChem CID12829471
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name1-trimethylsilylpentan-1-one
SMILESCCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-5-6-7-8(9)10(2,3)4/h5-7H2,1-4H3
InChIKeyBPQAENXNMHIDAA-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-trimethylsilylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, trimethyl(1-oxohexyl)-
CID 163012
3-Trimethylsilylcyclopentan-1-one
CID 14001618
6-Trimethylsilylhexan-4-one
CID 14112750
1-Trimethylsilylpentan-2-one
CID 12457306
3-Trimethylsilylpentanal
CID 12824378
1-[Tert-butyl(dimethyl)silyl]hexan-1-one
CID 15685380
1-(Trimethylsilyl)butan-1-one
CID 12519742
1-(Trimethylsilyl)heptan-1-one
CID 12829476
1,1-Dimethylsilinan-2-one
CID 14691080
Butyldimethylsilylpentadione
CID 87854103
5-(Trimethylsilyl)-2-pentanone
CID 575386
6-Trimethylsilylhexan-2-one
CID 10080847

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylpentan-1-one?
The IUPAC name of 1-trimethylsilylpentan-1-one (CID 12829471) is 1-trimethylsilylpentan-1-one.
What is the SMILES notation for 1-trimethylsilylpentan-1-one?
The canonical SMILES for 1-trimethylsilylpentan-1-one is CCCCC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylpentan-1-one?
The InChIKey is BPQAENXNMHIDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-5-6-7-8(9)10(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-trimethylsilylpentan-1-one?
1-trimethylsilylpentan-1-one has a molecular weight of 158.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylpentan-1-one is sourced from PubChem (CID 12829471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).