4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one

C18H34O2Si — CID 11809084

IUPAC4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one
SMILESCC1CC([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C=CC1=O
InChIInChI=1S/C18H34O2Si/c1-13(2)16(12-20-21(7,8)18(4,5)6)15-9-10-17(19)14(3)11-15/h9-10,13-16H,11-12H2,1-8H3/t14?,15?,16-/m1/s1
InChIKeyXOIYUNZRTYVWMP-UYSNPLJNSA-N
MW310.55 g/mol
LogP5.06
Rot. Bonds5

About 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one

4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one (PubChem CID 11809084) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one
PubChem CID11809084
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one
SMILESCC1CC([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C=CC1=O
InChIInChI=1S/C18H34O2Si/c1-13(2)16(12-20-21(7,8)18(4,5)6)15-9-10-17(19)14(3)11-15/h9-10,13-16H,11-12H2,1-8H3/t14?,15?,16-/m1/s1
InChIKeyXOIYUNZRTYVWMP-UYSNPLJNSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.06
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

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(1R,2S,6R,7R,9R,12S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4,12-dimethyl-10-oxatricyclo[7.3.1.02,7]tridec-3-en-11-one
CID 11247185
5-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-hydroxy-1-methylbicyclo[2.2.2]octan-2-one
CID 117070481
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 72819931
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
CID 102325354
(1S,2R,4S,8R)-8-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2-ethenyl-1-methylbicyclo[2.2.2]oct-5-en-2-ol
CID 10893855
1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one
CID 11485967
1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one
CID 11451965
(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one
CID 11780673
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one?
The IUPAC name of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one (CID 11809084) is 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one is CC1CC([C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C=CC1=O.
What is the InChIKey of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one?
The InChIKey is XOIYUNZRTYVWMP-UYSNPLJNSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13(2)16(12-20-21(7,8)18(4,5)6)15-9-10-17(19)14(3)11-15/h9-10,13-16H,11-12H2,1-8H3/t14?,15?,16-/m1/s1.
What are the key properties of 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one?
4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 11809084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).