trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one

C18H34O3Si — CID 174010534

IUPACtrans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one
SMILESCC(=O)CC[C@@]1(C)C(=O)CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C18H34O3Si/c1-13(19)11-12-18(6)14(2)15(9-10-16(18)20)21-22(7,8)17(3,4)5/h14-15H,9-12H2,1-8H3/t14-,15?,18+/m0/s1
InChIKeyWFJBQEMAEYZFCE-YWQITRNNSA-N
MW326.55 g/mol
LogP4.75
Rot. Bonds5

About trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one

trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one (PubChem CID 174010534) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one
PubChem CID174010534
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nametrans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one
SMILESCC(=O)CC[C@@]1(C)C(=O)CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C18H34O3Si/c1-13(19)11-12-18(6)14(2)15(9-10-16(18)20)21-22(7,8)17(3,4)5/h14-15H,9-12H2,1-8H3/t14-,15?,18+/m0/s1
InChIKeyWFJBQEMAEYZFCE-YWQITRNNSA-N
XLogP4.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one?
The IUPAC name of trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one (CID 174010534) is trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one.
What is the SMILES notation for trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one?
The canonical SMILES for trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one is CC(=O)CC[C@@]1(C)C(=O)CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one?
The InChIKey is WFJBQEMAEYZFCE-YWQITRNNSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-13(19)11-12-18(6)14(2)15(9-10-16(18)20)21-22(7,8)17(3,4)5/h14-15H,9-12H2,1-8H3/t14-,15?,18+/m0/s1.
What are the key properties of trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one?
trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one has a molecular weight of 326.55 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one is sourced from PubChem (CID 174010534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).