3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one

C14H26O2Si — CID 13097493

IUPAC3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
SMILESCC(=O)C(CC1C(=O)CCCC1C)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-10-7-6-8-13(16)12(10)9-14(11(2)15)17(3,4)5/h10,12,14H,6-9H2,1-5H3
InChIKeyXSFYYXWTDALNDV-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.68
Rot. Bonds4

About 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one

3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one (PubChem CID 13097493) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
PubChem CID13097493
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
SMILESCC(=O)C(CC1C(=O)CCCC1C)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-10-7-6-8-13(16)12(10)9-14(11(2)15)17(3,4)5/h10,12,14H,6-9H2,1-5H3
InChIKeyXSFYYXWTDALNDV-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6S)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylcyclohexan-1-one
CID 11085451
Cyclohexanone, 2,3-dimethyl-2-(3-oxobutyl)-
CID 536789
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
1-(2-Acetylcyclohexyl)propan-2-one
CID 13874934
(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
2-(1-Methyl-3-oxobutyl)cyclohexanone
CID 12567671
1-Methyl-4-isopropyl-2-(3'-oxobutyl)-cyclohexan-3-one
CID 14137252
3,3-Dimethyl-2-(3-oxobutyl)cyclohexan-1-one
CID 14357708
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588
6-Ethyl-3-methyl-2-(3-oxobutyl)cyclohexan-1-one
CID 91422337
1-[(1R,2S,3R)-2-acetyl-3-ethylcyclohexyl]propan-2-one
CID 101775392

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
The IUPAC name of 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one (CID 13097493) is 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one.
What is the SMILES notation for 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
The canonical SMILES for 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one is CC(=O)C(CC1C(=O)CCCC1C)[Si](C)(C)C.
What is the InChIKey of 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
The InChIKey is XSFYYXWTDALNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10-7-6-8-13(16)12(10)9-14(11(2)15)17(3,4)5/h10,12,14H,6-9H2,1-5H3.
What are the key properties of 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one is sourced from PubChem (CID 13097493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).