(5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one

C14H26O3Si — CID 10516230

IUPAC(5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1=CC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(6,7)17-14(4)9-11(15)8-12(10-14)16-5/h8H,9-10H2,1-7H3/t14-/m0/s1
InChIKeyUQAGPPBQHSDPKU-AWEZNQCLSA-N
MW270.44 g/mol
LogP3.66
Rot. Bonds3

About (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one

(5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one (PubChem CID 10516230) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one
PubChem CID10516230
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1=CC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(6,7)17-14(4)9-11(15)8-12(10-14)16-5/h8H,9-10H2,1-7H3/t14-/m0/s1
InChIKeyUQAGPPBQHSDPKU-AWEZNQCLSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 15660281
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one
CID 10754546
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one
CID 11000137

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one?
The IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one (CID 10516230) is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one is COC1=CC(=O)C[C@](C)(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one?
The InChIKey is UQAGPPBQHSDPKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(2,3)18(6,7)17-14(4)9-11(15)8-12(10-14)16-5/h8H,9-10H2,1-7H3/t14-/m0/s1.
What are the key properties of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one?
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one has a molecular weight of 270.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10516230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).