2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one

C11H22OSi — CID 12700724

IUPAC2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one
SMILESCC(C)[Si](C)(C)C1CCCCC1=O
InChIInChI=1S/C11H22OSi/c1-9(2)13(3,4)11-8-6-5-7-10(11)12/h9,11H,5-8H2,1-4H3
InChIKeyABBWPCNIPHCDLF-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.62
Rot. Bonds2

About 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one

2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one (PubChem CID 12700724) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one
PubChem CID12700724
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one
SMILESCC(C)[Si](C)(C)C1CCCCC1=O
InChIInChI=1S/C11H22OSi/c1-9(2)13(3,4)11-8-6-5-7-10(11)12/h9,11H,5-8H2,1-4H3
InChIKeyABBWPCNIPHCDLF-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one?
The IUPAC name of 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one (CID 12700724) is 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one.
What is the SMILES notation for 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one?
The canonical SMILES for 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one is CC(C)[Si](C)(C)C1CCCCC1=O.
What is the InChIKey of 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one?
The InChIKey is ABBWPCNIPHCDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-9(2)13(3,4)11-8-6-5-7-10(11)12/h9,11H,5-8H2,1-4H3.
What are the key properties of 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one?
2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one has a molecular weight of 198.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(propan-2-yl)silyl]cyclohexan-1-one is sourced from PubChem (CID 12700724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).