(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C16H28O2Si — CID 11140513

IUPAC(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@H]1CC=C(C)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-11(2)13-10-9-12(3)14(17)15(13)18-19(7,8)16(4,5)6/h9,13,15H,1,10H2,2-8H3/t13-,15-/m1/s1
InChIKeyZTRWVTRBJIPVSA-UKRRQHHQSA-N
MW280.48 g/mol
LogP4.49
Rot. Bonds3

About (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 11140513) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID11140513
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)[C@H]1CC=C(C)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-11(2)13-10-9-12(3)14(17)15(13)18-19(7,8)16(4,5)6/h9,13,15H,1,10H2,2-8H3/t13-,15-/m1/s1
InChIKeyZTRWVTRBJIPVSA-UKRRQHHQSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4S,5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138963805
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 12169197
(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 13073165
(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
CID 134854811
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylcyclohex-2-en-1-one
CID 91156705
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 91550986
6-(Tert-butyldimethylsilyloxy)cyclohex-2-enone
CID 102133175
6-Triethylsilyloxycyclohex-2-en-1-one
CID 139985457
6-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 139985488

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 11140513) is (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)[C@H]1CC=C(C)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is ZTRWVTRBJIPVSA-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-11(2)13-10-9-12(3)14(17)15(13)18-19(7,8)16(4,5)6/h9,13,15H,1,10H2,2-8H3/t13-,15-/m1/s1.
What are the key properties of (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 280.48 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 11140513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).