trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate

C14H28O3Si — CID 101345223

IUPACtrans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-5-18(6-2,7-3)17-13-11-9-8-10-12(13)14(15)16-4/h12-13H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyCZFVWQIEXIBGKR-STQMWFEESA-N
MW272.46 g/mol
LogP3.74
Rot. Bonds6

About trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate

trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate (PubChem CID 101345223) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate
PubChem CID101345223
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nametrans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C14H28O3Si/c1-5-18(6-2,7-3)17-13-11-9-8-10-12(13)14(15)16-4/h12-13H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyCZFVWQIEXIBGKR-STQMWFEESA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate 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-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate (CID 101345223) is trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate is CC[Si](CC)(CC)O[C@H]1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate?
The InChIKey is CZFVWQIEXIBGKR-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O3Si/c1-5-18(6-2,7-3)17-13-11-9-8-10-12(13)14(15)16-4/h12-13H,5-11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate?
trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate has a molecular weight of 272.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 101345223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).