4-methyl-1-trimethylsilylpentan-3-one

C9H20OSi — CID 12607719

IUPAC4-methyl-1-trimethylsilylpentan-3-one
SMILESCC(C)C(=O)CC[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(2)9(10)6-7-11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyIHBLDUISZAZRQV-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.94
Rot. Bonds4

About 4-methyl-1-trimethylsilylpentan-3-one

4-methyl-1-trimethylsilylpentan-3-one (PubChem CID 12607719) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-methyl-1-trimethylsilylpentan-3-one.

Molecular Properties

Compound Name4-methyl-1-trimethylsilylpentan-3-one
PubChem CID12607719
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-methyl-1-trimethylsilylpentan-3-one
SMILESCC(C)C(=O)CC[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(2)9(10)6-7-11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyIHBLDUISZAZRQV-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.94
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

3-[(Trimethylsilyl)methyl]cyclobutan-1-one
CID 130032031
2-[Tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775509
1-Cyclopropyl-2-trimethylsilylethanone
CID 91510198
(2R)-2-[tert-butyl(dimethyl)silyl]pentan-3-one
CID 11745677
2-Trimethylsilylpentan-3-one
CID 12465007
4-Methyl-1-trimethylsilylpentan-1-one
CID 12529248
5-Methyl-3-(trimethylsilylmethyl)hexan-2-one
CID 12607716
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
2-Tri(propan-2-yl)silylpentan-3-one
CID 13352597
(2S)-2-[tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775510
5-Methyl-1-trimethylsilylhexan-3-one
CID 14112751
(4S)-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-2-one
CID 101836454

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-trimethylsilylpentan-3-one?
The IUPAC name of 4-methyl-1-trimethylsilylpentan-3-one (CID 12607719) is 4-methyl-1-trimethylsilylpentan-3-one.
What is the SMILES notation for 4-methyl-1-trimethylsilylpentan-3-one?
The canonical SMILES for 4-methyl-1-trimethylsilylpentan-3-one is CC(C)C(=O)CC[Si](C)(C)C.
What is the InChIKey of 4-methyl-1-trimethylsilylpentan-3-one?
The InChIKey is IHBLDUISZAZRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-8(2)9(10)6-7-11(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 4-methyl-1-trimethylsilylpentan-3-one?
4-methyl-1-trimethylsilylpentan-3-one has a molecular weight of 172.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-trimethylsilylpentan-3-one is sourced from PubChem (CID 12607719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).