(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one

C14H26O2Si — CID 14635282

IUPAC(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one
SMILESC[C@@H]1CC(=O)C=C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-9-13(15)8-7-12(11)10-16-17(5,6)14(2,3)4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyPTLQJEOQWGFKAV-NEPJUHHUSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds3

About (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one

(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one (PubChem CID 14635282) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one
PubChem CID14635282
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one
SMILESC[C@@H]1CC(=O)C=C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-9-13(15)8-7-12(11)10-16-17(5,6)14(2,3)4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m1/s1
InChIKeyPTLQJEOQWGFKAV-NEPJUHHUSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-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

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
(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 15660281
(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
(4S,5S)-5-methyl-4-((trimethylsilyl)oxy)cyclohex-2-en-1-one
CID 86277847
(E)-1-[2-[(1E,3E)-penta-1,3-dienyl]-4-trimethylsilyloxycyclohex-3-en-1-yl]but-2-en-1-one
CID 134889384
(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one
CID 135016080
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 135039907
(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 164665587
(4r,5s)-4-Tert-butyldimethylsilyloxymethyl-5-tert-butyldimethylsilyloxy-cyclohex-2-en-1-one
CID 10690563

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
The IUPAC name of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one (CID 14635282) is (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
The canonical SMILES for (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one is C[C@@H]1CC(=O)C=C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
The InChIKey is PTLQJEOQWGFKAV-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-11-9-13(15)8-7-12(11)10-16-17(5,6)14(2,3)4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 14635282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).