trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one

C15H30O2Si — CID 14584997

IUPACtrans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1=O
InChIInChI=1S/C15H30O2Si/c1-11-9-12(10-15(5,6)13(11)16)17-18(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeySMPNKQUAZSCQBI-VXGBXAGGSA-N
MW270.49 g/mol
LogP4.40
Rot. Bonds2

About trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one

trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one (PubChem CID 14584997) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one
PubChem CID14584997
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametrans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1=O
InChIInChI=1S/C15H30O2Si/c1-11-9-12(10-15(5,6)13(11)16)17-18(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeySMPNKQUAZSCQBI-VXGBXAGGSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one?
The IUPAC name of trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one (CID 14584997) is trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one.
What is the SMILES notation for trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one?
The canonical SMILES for trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one is C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1=O.
What is the InChIKey of trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one?
The InChIKey is SMPNKQUAZSCQBI-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11-9-12(10-15(5,6)13(11)16)17-18(7,8)14(2,3)4/h11-12H,9-10H2,1-8H3/t11-,12-/m1/s1.
What are the key properties of trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one?
trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 14584997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).