ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate

C16H30O3Si — CID 57205312

IUPACethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate
SMILESCCOC(=O)C=C[C@H]1CC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-18-15(17)11-10-13-8-9-14(13)12-19-20(5,6)16(2,3)4/h10-11,13-14H,7-9,12H2,1-6H3/t13-,14+/m1/s1
InChIKeyPGUVMTGYNXLXMG-KGLIPLIRSA-N
MW298.50 g/mol
LogP4.15
Rot. Bonds6

About ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate

ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate (PubChem CID 57205312) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate
PubChem CID57205312
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate
SMILESCCOC(=O)C=C[C@H]1CC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-18-15(17)11-10-13-8-9-14(13)12-19-20(5,6)16(2,3)4/h10-11,13-14H,7-9,12H2,1-6H3/t13-,14+/m1/s1
InChIKeyPGUVMTGYNXLXMG-KGLIPLIRSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
ethyl (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-enoate
CID 15298242
ethyl (E,4R,8S)-4,8-dimethyl-9-tri(propan-2-yl)silyloxynon-2-enoate
CID 56957601
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyloxy]-methyl}-5-methylocta-2,7-dienoate
CID 129756222
Ethyl (2e,6r)-8-[t-butyl(dimethyl)silyloxy]-2,6-dimethyl-4-methylideneoct-2-enoate
CID 129756448
Methyl (2e)-3-[(1s,2r,5r)-2-({[t-butyl(dimethyl)silyl]oxy}methyl)-5-(trimethylsilyl) cyclopent-3-en-1-yl]prop-2-enoate
CID 132278584
ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate
CID 135031674
methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
CID 135035689
methyl (E,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
CID 135036326
ethyl (2E,4E)-5-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienoate
CID 14851376
ethyl 5-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienoate
CID 54199389
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate
CID 54380609

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate?
The IUPAC name of ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate (CID 57205312) is ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate is CCOC(=O)C=C[C@H]1CC[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate?
The InChIKey is PGUVMTGYNXLXMG-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-18-15(17)11-10-13-8-9-14(13)12-19-20(5,6)16(2,3)4/h10-11,13-14H,7-9,12H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate?
ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate is sourced from PubChem (CID 57205312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).