(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one

C13H24O3Si — CID 11701608

IUPAC(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(O)C=CC(=O)CC1
InChIInChI=1S/C13H24O3Si/c1-12(2,3)17(4,5)16-10-13(15)8-6-11(14)7-9-13/h6,8,15H,7,9-10H2,1-5H3/t13-/m0/s1
InChIKeyCMUPQLLRBVCWDI-ZDUSSCGKSA-N
MW256.42 g/mol
LogP2.66
Rot. Bonds3

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

(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one (PubChem CID 11701608) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one
PubChem CID11701608
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(O)C=CC(=O)CC1
InChIInChI=1S/C13H24O3Si/c1-12(2,3)17(4,5)16-10-13(15)8-6-11(14)7-9-13/h6,8,15H,7,9-10H2,1-5H3/t13-/m0/s1
InChIKeyCMUPQLLRBVCWDI-ZDUSSCGKSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one?
The IUPAC name of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one (CID 11701608) is (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OC[C@]1(O)C=CC(=O)CC1.
What is the InChIKey of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one?
The InChIKey is CMUPQLLRBVCWDI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-12(2,3)17(4,5)16-10-13(15)8-6-11(14)7-9-13/h6,8,15H,7,9-10H2,1-5H3/t13-/m0/s1.
What are the key properties of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one?
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one has a molecular weight of 256.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 11701608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).