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

C13H24O2Si — CID 134889971

IUPAC2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
SMILESCC(=O)C(CC1CCCCC1=O)[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-10(14)13(16(2,3)4)9-11-7-5-6-8-12(11)15/h11,13H,5-9H2,1-4H3
InChIKeyRNPGCNKBRGNQQP-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.43
Rot. Bonds4

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

2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one (PubChem CID 134889971) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
PubChem CID134889971
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
SMILESCC(=O)C(CC1CCCCC1=O)[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-10(14)13(16(2,3)4)9-11-7-5-6-8-12(11)15/h11,13H,5-9H2,1-4H3
InChIKeyRNPGCNKBRGNQQP-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.43
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

4-Acetylcyclohexanone
CID 536391
3-Acetonylcyclohexanone
CID 538594
Silane, (cyclohexylcarbonyl)trimethyl-
CID 10954223
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
2-Methyl-6-(trimethylsilylmethyl)cyclohexan-1-one
CID 14712713
1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
2-(3-Oxobutyl)cyclohexanone
CID 539006
2-Butyl-1,3-cyclohexanedione
CID 544108
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
2-Cyclohexyl-1-trimethylsilylethanone
CID 11041745
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
The IUPAC name of 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one (CID 134889971) is 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
The canonical SMILES for 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one is CC(=O)C(CC1CCCCC1=O)[Si](C)(C)C.
What is the InChIKey of 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
The InChIKey is RNPGCNKBRGNQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10(14)13(16(2,3)4)9-11-7-5-6-8-12(11)15/h11,13H,5-9H2,1-4H3.
What are the key properties of 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one?
2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one is sourced from PubChem (CID 134889971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).