methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate

C13H24O3Si — CID 101202524

IUPACmethyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
SMILESCOC(=O)C(C)C1(O[Si](C)(C)C)C=CCCC1
InChIInChI=1S/C13H24O3Si/c1-11(12(14)15-2)13(16-17(3,4)5)9-7-6-8-10-13/h7,9,11H,6,8,10H2,1-5H3
InChIKeyDOLGAPCFCHOEFE-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate

methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate (PubChem CID 101202524) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
PubChem CID101202524
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
SMILESCOC(=O)C(C)C1(O[Si](C)(C)C)C=CCCC1
InChIInChI=1S/C13H24O3Si/c1-11(12(14)15-2)13(16-17(3,4)5)9-7-6-8-10-13/h7,9,11H,6,8,10H2,1-5H3
InChIKeyDOLGAPCFCHOEFE-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(1-hydroxycyclohex-2-en-1-yl)propanoate
CID 66037166
methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 102515896
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
CID 134901574
methyl (1R,2R)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134979475
methyl (1R,2R)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980044
methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134991352
[tert-butyl(dimethyl)silyl] (2S)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135018892
[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135040256
methyl (1R,2S,4S)-1-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 12060365
6-Butyl-6-methoxycyclohexa-2,4-diene-1-carboxylate
CID 21652360
methyl (1S,6R,7S)-7-[(2E)-penta-2,4-dienyl]-1-trimethylsilyloxybicyclo[4.1.0]hept-2-ene-7-carboxylate
CID 23257945
Methyl 2-(1-hydroxycyclohex-2-en-1-yl)-3-methylbutanoate
CID 66037170

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The IUPAC name of methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate (CID 101202524) is methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate.
What is the SMILES notation for methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The canonical SMILES for methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate is COC(=O)C(C)C1(O[Si](C)(C)C)C=CCCC1.
What is the InChIKey of methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The InChIKey is DOLGAPCFCHOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-11(12(14)15-2)13(16-17(3,4)5)9-7-6-8-10-13/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate has a molecular weight of 256.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate is sourced from PubChem (CID 101202524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).