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

C13H24O2Si — CID 11402212

IUPAC(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)CC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6,8,11H,7,9-10H2,1-5H3/t11-/m1/s1
InChIKeyYDRYOPZEVQDTBU-LLVKDONJSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds3

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

(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (PubChem CID 11402212) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
PubChem CID11402212
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)CC1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6,8,11H,7,9-10H2,1-5H3/t11-/m1/s1
InChIKeyYDRYOPZEVQDTBU-LLVKDONJSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The IUPAC name of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (CID 11402212) is (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C=CC(=O)CC1.
What is the InChIKey of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The InChIKey is YDRYOPZEVQDTBU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11/h6,8,11H,7,9-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 11402212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).