methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate

C16H28O3Si — CID 102051874

IUPACmethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate
SMILESCOC(=O)CC1CCCC1=C=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(5,6)19-11-10-13-8-7-9-14(13)12-15(17)18-4/h11,14H,7-9,12H2,1-6H3
InChIKeyOXVSCGXMWKTGDR-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.41
Rot. Bonds4

About methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate

methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate (PubChem CID 102051874) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate
PubChem CID102051874
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Namemethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate
SMILESCOC(=O)CC1CCCC1=C=CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(5,6)19-11-10-13-8-7-9-14(13)12-15(17)18-4/h11,14H,7-9,12H2,1-6H3
InChIKeyOXVSCGXMWKTGDR-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
CID 15347120
methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate
CID 151312228
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
methyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 10535152
methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
CID 14395942
methyl 2-(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 91016597
tert-butyl-dimethyl-(2-methyl-3-prop-2-ynylcyclohexen-1-yl)oxysilane
CID 12026901
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 174030231
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
methyl 2-[(2S,6S)-6-methyl-3-oxooxan-2-yl]acetate
CID 139265982
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate?
The IUPAC name of methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate (CID 102051874) is methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate is COC(=O)CC1CCCC1=C=CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate?
The InChIKey is OXVSCGXMWKTGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-16(2,3)20(5,6)19-11-10-13-8-7-9-14(13)12-15(17)18-4/h11,14H,7-9,12H2,1-6H3.
What are the key properties of methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate?
methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate has a molecular weight of 296.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethenylidene]cyclopentyl]acetate is sourced from PubChem (CID 102051874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).