(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one

C10H18OSi — CID 15277926

IUPAC(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one
SMILESCC1=CC[C@@H]([Si](C)(C)C)CC1=O
InChIInChI=1S/C10H18OSi/c1-8-5-6-9(7-10(8)11)12(2,3)4/h5,9H,6-7H2,1-4H3/t9-/m1/s1
InChIKeyCWIIJJYGOFXLJN-SECBINFHSA-N
MW182.34 g/mol
LogP3.00
Rot. Bonds1

About (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one

(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one (PubChem CID 15277926) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one
PubChem CID15277926
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one
SMILESCC1=CC[C@@H]([Si](C)(C)C)CC1=O
InChIInChI=1S/C10H18OSi/c1-8-5-6-9(7-10(8)11)12(2,3)4/h5,9H,6-7H2,1-4H3/t9-/m1/s1
InChIKeyCWIIJJYGOFXLJN-SECBINFHSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 53.00
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

(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one
CID 102411598
5-methyl-5-(4-methyl-5-oxocyclohex-3-en-1-yl)-4H-1,2-oxazole-3-carboxylic acid
CID 53397149
5-butyl-2-methylcyclohex-2-en-1-one
CID 12827096
(5R)-5-(1,2-dimethylcyclopropyl)-2-methylcyclohex-2-en-1-one
CID 162016091
cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
CID 87784204
N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide
CID 15895941
5-[(E)-1-aminoprop-1-en-2-yl]-2-methylcyclohex-2-en-1-one
CID 139655338
5-but-1-en-2-yl-2-methylcyclohex-2-en-1-one
CID 142437984
(5S)-5-[(2R)-1,2-dibromopropan-2-yl]-2-methylcyclohex-2-en-1-one
CID 171803239
2-methyl-5-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 67152484
(5R)-5-(3-bromoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
CID 11345224

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one?
The IUPAC name of (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one (CID 15277926) is (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one is CC1=CC[C@@H]([Si](C)(C)C)CC1=O.
What is the InChIKey of (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one?
The InChIKey is CWIIJJYGOFXLJN-SECBINFHSA-N. The full InChI is InChI=1S/C10H18OSi/c1-8-5-6-9(7-10(8)11)12(2,3)4/h5,9H,6-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one?
(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one has a molecular weight of 182.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one is sourced from PubChem (CID 15277926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).