methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate

C17H30O4Si — CID 14924821

IUPACmethyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(O[C@H]2CCCC[C@@H]2O[Si](C)(C)C)CCCC1
InChIInChI=1S/C17H30O4Si/c1-19-17(18)13-9-5-6-10-14(13)20-15-11-7-8-12-16(15)21-22(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16-/m0/s1
InChIKeyZHSGWHVAPNOIRC-HOTGVXAUSA-N
MW326.51 g/mol
LogP4.17
Rot. Bonds5

About methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate

methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate (PubChem CID 14924821) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate
PubChem CID14924821
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namemethyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(O[C@H]2CCCC[C@@H]2O[Si](C)(C)C)CCCC1
InChIInChI=1S/C17H30O4Si/c1-19-17(18)13-9-5-6-10-14(13)20-15-11-7-8-12-16(15)21-22(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16-/m0/s1
InChIKeyZHSGWHVAPNOIRC-HOTGVXAUSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-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 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate?
The IUPAC name of methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate (CID 14924821) is methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate.
What is the SMILES notation for methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate?
The canonical SMILES for methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate is COC(=O)C1=C(O[C@H]2CCCC[C@@H]2O[Si](C)(C)C)CCCC1.
What is the InChIKey of methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate?
The InChIKey is ZHSGWHVAPNOIRC-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-19-17(18)13-9-5-6-10-14(13)20-15-11-7-8-12-16(15)21-22(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate?
methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate has a molecular weight of 326.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxycyclohexene-1-carboxylate is sourced from PubChem (CID 14924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).