(4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one

C15H24O2Si — CID 135037844

IUPAC(4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one
SMILESC=CC[C@@H]1CC(=O)C([Si](C)(C)C)=C[C@]1(C)C(C)=O
InChIInChI=1S/C15H24O2Si/c1-7-8-12-9-13(17)14(18(4,5)6)10-15(12,3)11(2)16/h7,10,12H,1,8-9H2,2-6H3/t12-,15-/m1/s1
InChIKeyASHTWRFHPWGZNS-IUODEOHRSA-N
MW264.44 g/mol
LogP3.55
Rot. Bonds4

About (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one

(4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one (PubChem CID 135037844) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one
PubChem CID135037844
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name(4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one
SMILESC=CC[C@@H]1CC(=O)C([Si](C)(C)C)=C[C@]1(C)C(C)=O
InChIInChI=1S/C15H24O2Si/c1-7-8-12-9-13(17)14(18(4,5)6)10-15(12,3)11(2)16/h7,10,12H,1,8-9H2,2-6H3/t12-,15-/m1/s1
InChIKeyASHTWRFHPWGZNS-IUODEOHRSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-but-3-enyl-3,3-dimethyl-6-oxocyclohexene-1-carboxylate
CID 102508650
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
[(1R,3S,4R,5R)-1-methyl-7-oxo-3-prop-2-enyl-6-oxabicyclo[3.2.1]octan-4-yl] acetate
CID 59076462
4-prop-2-enyloxan-2-one
CID 10558704
[4-[1-(4-methoxyphenyl)-2-prop-2-enylcyclohexyl]phenyl] acetate
CID 54509211
(1R,4R,5S,6R)-6-but-3-enyl-1-methyl-4-prop-1-en-2-yl-5-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 101337614
2-acetyl-2-methylcyclopropan-1-one
CID 58194854
3,3-dimethyl-5-prop-2-enylcyclohexan-1-one
CID 130030499
3-[tert-butyl(dimethyl)silyl]-1-[(1R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethyl-5-prop-2-enylcyclohex-2-en-1-yl]prop-2-yn-1-one
CID 138966126
(1S,4R)-1,7,7-trimethyl-5-prop-2-enylbicyclo[2.2.1]hept-5-en-2-one
CID 10932244
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 173111081
(3aR,6aS)-3a,6a-dimethyl-1-prop-2-enyl-3,4,5,6-tetrahydro-1H-pentalen-2-one
CID 134894502

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one?
The IUPAC name of (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one (CID 135037844) is (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one?
The canonical SMILES for (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one is C=CC[C@@H]1CC(=O)C([Si](C)(C)C)=C[C@]1(C)C(C)=O.
What is the InChIKey of (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one?
The InChIKey is ASHTWRFHPWGZNS-IUODEOHRSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-7-8-12-9-13(17)14(18(4,5)6)10-15(12,3)11(2)16/h7,10,12H,1,8-9H2,2-6H3/t12-,15-/m1/s1.
What are the key properties of (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one?
(4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one has a molecular weight of 264.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-acetyl-4-methyl-5-prop-2-enyl-2-trimethylsilylcyclohex-2-en-1-one is sourced from PubChem (CID 135037844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).