(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one

C16H34O2Si — CID 135048113

IUPAC(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one
SMILESCC(C)C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-12(2)13(17)11-14(15(3,4)5)18-19(9,10)16(6,7)8/h12,14H,11H2,1-10H3/t14-/m1/s1
InChIKeyLTPIXXHCWNULDI-CQSZACIVSA-N
MW286.53 g/mol
LogP5.04
Rot. Bonds5

About (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one

(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one (PubChem CID 135048113) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one.

Molecular Properties

Compound Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one
PubChem CID135048113
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one
SMILESCC(C)C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-12(2)13(17)11-14(15(3,4)5)18-19(9,10)16(6,7)8/h12,14H,11H2,1-10H3/t14-/m1/s1
InChIKeyLTPIXXHCWNULDI-CQSZACIVSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.04
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,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 11219118
(4S,5R)-4-methyl-5-trimethylsilyloxyheptan-3-one
CID 11557578
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 11821760
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptan-3-one
CID 13891738
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383
(2S)-2-[(3S,4S,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]pentan-3-one
CID 134830919
CID 134890037
CID 134890037
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-3-one
CID 101715538
(4S,5S)-4-methyl-5-trimethylsilyloxyheptan-3-one
CID 101715539
4-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-2-one
CID 85873143
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylhexan-2-one
CID 139923517

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one?
The IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one (CID 135048113) is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one.
What is the SMILES notation for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one?
The canonical SMILES for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one is CC(C)C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one?
The InChIKey is LTPIXXHCWNULDI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-12(2)13(17)11-14(15(3,4)5)18-19(9,10)16(6,7)8/h12,14H,11H2,1-10H3/t14-/m1/s1.
What are the key properties of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one?
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one has a molecular weight of 286.53 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-one is sourced from PubChem (CID 135048113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).