4-methyl-1-trimethylsilylpentan-1-one

C9H20OSi — CID 12529248

IUPAC4-methyl-1-trimethylsilylpentan-1-one
SMILESCC(C)CCC(=O)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(2)6-7-9(10)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyNREYWIZXICKLNR-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.87
Rot. Bonds4

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

4-methyl-1-trimethylsilylpentan-1-one (PubChem CID 12529248) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-methyl-1-trimethylsilylpentan-1-one.

Molecular Properties

Compound Name4-methyl-1-trimethylsilylpentan-1-one
PubChem CID12529248
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-methyl-1-trimethylsilylpentan-1-one
SMILESCC(C)CCC(=O)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(2)6-7-9(10)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyNREYWIZXICKLNR-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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

Silane, (1,1-dimethylethyl)dimethyl(1-oxopentyl)-
CID 11672873
Silane, (3-ethyl-1-oxopentyl)trimethyl-
CID 12192460
5-Methyl-3-(trimethylsilylmethyl)hexan-2-one
CID 12607716
4-Methyl-1-trimethylsilylpentan-3-one
CID 12607719
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
Butyl trimethylsilyl ketone
CID 12829471
3-Ethyl-1-trimethylsilylheptan-1-one
CID 13601209
5-Methyl-1-trimethylsilylhexan-3-one
CID 14112751
2-Methyl-1,5-bis(trimethylsilyl)pentane-1,5-dione
CID 15877499
1,5-Bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione
CID 15877500
1,1,3-Trimethylsilinan-2-one
CID 71332283
(2,2-Dimethylcyclopropyl)(trimethylsilyl)methanone
CID 13547835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-trimethylsilylpentan-1-one?
The IUPAC name of 4-methyl-1-trimethylsilylpentan-1-one (CID 12529248) is 4-methyl-1-trimethylsilylpentan-1-one.
What is the SMILES notation for 4-methyl-1-trimethylsilylpentan-1-one?
The canonical SMILES for 4-methyl-1-trimethylsilylpentan-1-one is CC(C)CCC(=O)[Si](C)(C)C.
What is the InChIKey of 4-methyl-1-trimethylsilylpentan-1-one?
The InChIKey is NREYWIZXICKLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-8(2)6-7-9(10)11(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 4-methyl-1-trimethylsilylpentan-1-one?
4-methyl-1-trimethylsilylpentan-1-one has a molecular weight of 172.34 g/mol, XLogP of 2.87, 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-1-one is sourced from PubChem (CID 12529248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).