trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one

C16H34O3Si2 — CID 58370717

IUPACtrans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one
SMILESC[C@@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-12-10-13(17)11-14(15(12)19-20(5,6)7)18-21(8,9)16(2,3)4/h12,14-15H,10-11H2,1-9H3/t12-,14-,15?/m1/s1
InChIKeyIYMGAUYPASOHAD-QRYBPTEFSA-N
MW330.62 g/mol
LogP4.60
Rot. Bonds4

About trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one

trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 58370717) has the molecular formula C16H34O3Si2 and a molecular weight of 330.62 g/mol. Its IUPAC name is trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one
PubChem CID58370717
Molecular FormulaC16H34O3Si2
Molecular Weight330.62 g/mol
Exact Mass330.20
IUPAC Nametrans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one
SMILESC[C@@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-12-10-13(17)11-14(15(12)19-20(5,6)7)18-21(8,9)16(2,3)4/h12,14-15H,10-11H2,1-9H3/t12-,14-,15?/m1/s1
InChIKeyIYMGAUYPASOHAD-QRYBPTEFSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 54.60
H-Bond Donors ≤ 50
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 trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one (CID 58370717) is trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one is C[C@@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is IYMGAUYPASOHAD-QRYBPTEFSA-N. The full InChI is InChI=1S/C16H34O3Si2/c1-12-10-13(17)11-14(15(12)19-20(5,6)7)18-21(8,9)16(2,3)4/h12,14-15H,10-11H2,1-9H3/t12-,14-,15?/m1/s1.
What are the key properties of trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one?
trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 330.62 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 58370717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).