methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate

C18H32O5Si — CID 10689646

IUPACmethyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate
SMILESCOC(=O)C(OC(C)=O)OC(C/C=C\[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H32O5Si/c1-14(19)22-18(17(20)21-2)23-16(12-9-13-24(3,4)5)15-10-7-6-8-11-15/h9,13,15-16,18H,6-8,10-12H2,1-5H3/b13-9-
InChIKeyHEUFHRSRZXSQQM-LCYFTJDESA-N
MW356.54 g/mol
LogP3.84
Rot. Bonds8

About methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate

methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate (PubChem CID 10689646) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate
PubChem CID10689646
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Namemethyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate
SMILESCOC(=O)C(OC(C)=O)OC(C/C=C\[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H32O5Si/c1-14(19)22-18(17(20)21-2)23-16(12-9-13-24(3,4)5)15-10-7-6-8-11-15/h9,13,15-16,18H,6-8,10-12H2,1-5H3/b13-9-
InChIKeyHEUFHRSRZXSQQM-LCYFTJDESA-N
XLogP3.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-acetyloxy-2-(cyclohexylmethoxy)acetate
CID 101037730
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
1-cyclohexylbut-3-enyl acetate
CID 11481011
dimethyl 2-cyclohexylpropanedioate
CID 2793740
[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate
CID 10779298
[(1R)-2-[(2S,4R,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 102148290
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
butanoic acid;1-cyclohexylethyl acetate
CID 175401865
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate?
The IUPAC name of methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate (CID 10689646) is methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate.
What is the SMILES notation for methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate?
The canonical SMILES for methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate is COC(=O)C(OC(C)=O)OC(C/C=C\[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate?
The InChIKey is HEUFHRSRZXSQQM-LCYFTJDESA-N. The full InChI is InChI=1S/C18H32O5Si/c1-14(19)22-18(17(20)21-2)23-16(12-9-13-24(3,4)5)15-10-7-6-8-11-15/h9,13,15-16,18H,6-8,10-12H2,1-5H3/b13-9-.
What are the key properties of methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate?
methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate has a molecular weight of 356.54 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2-[(Z)-1-cyclohexyl-4-trimethylsilylbut-3-enoxy]acetate is sourced from PubChem (CID 10689646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).