methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate

C17H30O3Si — CID 14903689

IUPACmethyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate
SMILESC/C=C(/C(=O)OC)C1=CC(C)(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H30O3Si/c1-9-14(15(18)19-6)13-10-11-17(5,12-13)20-21(7,8)16(2,3)4/h9,12H,10-11H2,1-8H3/b14-9+
InChIKeyQYGUGGIEDACTOO-NTEUORMPSA-N
MW310.51 g/mol
LogP4.61
Rot. Bonds4

About methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate

methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate (PubChem CID 14903689) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate
PubChem CID14903689
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Namemethyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate
SMILESC/C=C(/C(=O)OC)C1=CC(C)(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H30O3Si/c1-9-14(15(18)19-6)13-10-11-17(5,12-13)20-21(7,8)16(2,3)4/h9,12H,10-11H2,1-8H3/b14-9+
InChIKeyQYGUGGIEDACTOO-NTEUORMPSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate?
The IUPAC name of methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate (CID 14903689) is methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate.
What is the SMILES notation for methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate?
The canonical SMILES for methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate is C/C=C(/C(=O)OC)C1=CC(C)(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate?
The InChIKey is QYGUGGIEDACTOO-NTEUORMPSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-9-14(15(18)19-6)13-10-11-17(5,12-13)20-21(7,8)16(2,3)4/h9,12H,10-11H2,1-8H3/b14-9+.
What are the key properties of methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate?
methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate has a molecular weight of 310.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopenten-1-yl]but-2-enoate is sourced from PubChem (CID 14903689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).