(4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one

C10H18O2Si — CID 86277847

IUPAC(4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one
SMILESC[C@H]1CC(=O)C=C[C@H]1O[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-8-7-9(11)5-6-10(8)12-13(2,3)4/h5-6,8,10H,7H2,1-4H3/t8-,10+/m0/s1
InChIKeyJNYBGOOKJOPVIL-WCBMZHEXSA-N
MW198.34 g/mol
LogP2.37
Rot. Bonds2

About (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one

(4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one (PubChem CID 86277847) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one
PubChem CID86277847
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one
SMILESC[C@H]1CC(=O)C=C[C@H]1O[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-8-7-9(11)5-6-10(8)12-13(2,3)4/h5-6,8,10H,7H2,1-4H3/t8-,10+/m0/s1
InChIKeyJNYBGOOKJOPVIL-WCBMZHEXSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-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

(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 10911273
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 11096317
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11345167
6-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 10923561
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
8a-acetyl-8-trimethylsilyloxy-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 14661878
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4R,4aS,9aR)-4-trimethylsilyloxy-1,4,4a,9a-tetrahydrobenzo[7]annulen-5-one
CID 135037472
(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 164665587
(4aS,5S,8aS)-6-fluoro-5-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 10901619
(4S)-2,6,6-trimethyl-4-trimethylsilyloxycyclohex-2-en-1-one
CID 10955282

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one (CID 86277847) is (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one is C[C@H]1CC(=O)C=C[C@H]1O[Si](C)(C)C.
What is the InChIKey of (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is JNYBGOOKJOPVIL-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-8-7-9(11)5-6-10(8)12-13(2,3)4/h5-6,8,10H,7H2,1-4H3/t8-,10+/m0/s1.
What are the key properties of (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one?
(4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 198.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-4-trimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 86277847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).