(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one

C13H24O2Si — CID 12052560

IUPAC(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
SMILESC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C13H24O2Si/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/t10-,11-/m1/s1
InChIKeyVRTSKDNGIAEZAS-GHMZBOCLSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds2

About (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one

(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one (PubChem CID 12052560) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
PubChem CID12052560
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
SMILESC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C13H24O2Si/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/t10-,11-/m1/s1
InChIKeyVRTSKDNGIAEZAS-GHMZBOCLSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The IUPAC name of (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one (CID 12052560) is (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one is C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
The InChIKey is VRTSKDNGIAEZAS-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-10-9-11(7-8-12(10)14)15-16(5,6)13(2,3)4/h7-8,10-11H,9H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one?
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 12052560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).