methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate

C17H30O5Si — CID 14924830

IUPACmethyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)CCCC=C1O[C@H]1CCCC[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-20-16(18)17(19)12-8-7-11-15(17)21-13-9-5-6-10-14(13)22-23(2,3)4/h11,13-14,19H,5-10,12H2,1-4H3/t13-,14-,17-/m0/s1
InChIKeyWRNMLRIFINSYSY-ZQIUZPCESA-N
MW342.51 g/mol
LogP3.14
Rot. Bonds5

About methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate

methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate (PubChem CID 14924830) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate
PubChem CID14924830
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Namemethyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)CCCC=C1O[C@H]1CCCC[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-20-16(18)17(19)12-8-7-11-15(17)21-13-9-5-6-10-14(13)22-23(2,3)4/h11,13-14,19H,5-10,12H2,1-4H3/t13-,14-,17-/m0/s1
InChIKeyWRNMLRIFINSYSY-ZQIUZPCESA-N
XLogP3.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-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 methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate (CID 14924830) is methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate is COC(=O)[C@]1(O)CCCC=C1O[C@H]1CCCC[C@@H]1O[Si](C)(C)C.
What is the InChIKey of methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate?
The InChIKey is WRNMLRIFINSYSY-ZQIUZPCESA-N. The full InChI is InChI=1S/C17H30O5Si/c1-20-16(18)17(19)12-8-7-11-15(17)21-13-9-5-6-10-14(13)22-23(2,3)4/h11,13-14,19H,5-10,12H2,1-4H3/t13-,14-,17-/m0/s1.
What are the key properties of methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate?
methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate has a molecular weight of 342.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 14924830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).