methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate

C15H28O3Si — CID 10424035

IUPACmethyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
SMILESCC[C@@]1(CCC(=O)OC)CCCC=C1O[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-6-15(12-10-14(16)17-2)11-8-7-9-13(15)18-19(3,4)5/h9H,6-8,10-12H2,1-5H3/t15-/m0/s1
InChIKeyBOCBQINUZNCTEG-HNNXBMFYSA-N
MW284.47 g/mol
LogP4.26
Rot. Bonds6

About methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate

methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate (PubChem CID 10424035) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
PubChem CID10424035
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
SMILESCC[C@@]1(CCC(=O)OC)CCCC=C1O[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-6-15(12-10-14(16)17-2)11-8-7-9-13(15)18-19(3,4)5/h9H,6-8,10-12H2,1-5H3/t15-/m0/s1
InChIKeyBOCBQINUZNCTEG-HNNXBMFYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate with MolForge

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Related Compounds

Methyl 4-((trimethylsilyl)oxy)cyclohex-3-ene-1-carboxylate
CID 15101119
Ethyl 1-(fluoromethyl)-4-((trimethylsilyl)oxy)cyclohex-3-enecarboxylate
CID 123326572
Butyl 1-(fluoromethyl)-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 173604192
Methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 12726658
methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
CID 134844353
2-Cyclohexene-1-propanoic acid, 3-[(trimethylsilyl)oxy]-, ethyl ester
CID 11011074
methyl 3-[(1R)-1-methyl-2-trimethylsilyloxycyclopent-2-en-1-yl]propanoate
CID 101768064
Ethyl 1-ethyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 140776030
Methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
CID 11076513
ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
CID 99772879
ethyl 3-[(1R)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
CID 99772880
Methyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]propanoate
CID 101958816

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
The IUPAC name of methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate (CID 10424035) is methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
The canonical SMILES for methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate is CC[C@@]1(CCC(=O)OC)CCCC=C1O[Si](C)(C)C.
What is the InChIKey of methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
The InChIKey is BOCBQINUZNCTEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-6-15(12-10-14(16)17-2)11-8-7-9-13(15)18-19(3,4)5/h9H,6-8,10-12H2,1-5H3/t15-/m0/s1.
What are the key properties of methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate has a molecular weight of 284.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate is sourced from PubChem (CID 10424035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).