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

C14H26O2Si — CID 14635284

IUPAC(4S,5S)-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-/m0/s1
InChIKeyPTLQJEOQWGFKAV-RYUDHWBXSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds3

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

(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one (PubChem CID 14635284) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one
PubChem CID14635284
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4S,5S)-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-/m0/s1
InChIKeyPTLQJEOQWGFKAV-RYUDHWBXSA-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,5S)-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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
The IUPAC name of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one (CID 14635284) is (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
The canonical SMILES for (4S,5S)-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,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
The InChIKey is PTLQJEOQWGFKAV-RYUDHWBXSA-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-/m0/s1.
What are the key properties of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one?
(4S,5S)-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,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 14635284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).