(4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one

C14H26O2Si — CID 10562928

IUPAC(4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one
SMILESC[C@H]1C=CC(=O)[C@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-10-8-9-12(15)11(2)13(10)16-17(6,7)14(3,4)5/h8-11,13H,1-7H3/t10-,11-,13+/m0/s1
InChIKeyQVMOPCIHOBRSHD-GMXVVIOVSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds2

About (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one

(4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one (PubChem CID 10562928) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one
PubChem CID10562928
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one
SMILESC[C@H]1C=CC(=O)[C@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-10-8-9-12(15)11(2)13(10)16-17(6,7)14(3,4)5/h8-11,13H,1-7H3/t10-,11-,13+/m0/s1
InChIKeyQVMOPCIHOBRSHD-GMXVVIOVSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Related Compounds

5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
(4S,5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138963805
6-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 10923561
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-1-en-3-one
CID 51002595
(4S,5S)-5-methyl-4-((trimethylsilyl)oxy)cyclohex-2-en-1-one
CID 86277847
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
CID 91999208
(5S)-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
CID 134855536

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one (CID 10562928) is (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one is C[C@H]1C=CC(=O)[C@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one?
The InChIKey is QVMOPCIHOBRSHD-GMXVVIOVSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10-8-9-12(15)11(2)13(10)16-17(6,7)14(3,4)5/h8-11,13H,1-7H3/t10-,11-,13+/m0/s1.
What are the key properties of (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one?
(4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 10562928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).