trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate

C14H26O2Si — CID 11021455

IUPACtrans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate
SMILESC=C[C@H]1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-11-9-8-10-12(11)13(15)16-17(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1
InChIKeyCCYKXJCYIQNORZ-NWDGAFQWSA-N
MW254.45 g/mol
LogP4.14
Rot. Bonds3

About trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate

trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate (PubChem CID 11021455) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate
PubChem CID11021455
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametrans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate
SMILESC=C[C@H]1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-11-9-8-10-12(11)13(15)16-17(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1
InChIKeyCCYKXJCYIQNORZ-NWDGAFQWSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, trimethylsilyl ester
CID 14391647
[Tert-butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23136045
methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
CID 134901015
methyl 2-[(1R,2R)-2-[(E)-2-methyl-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 134901089
ethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 134901108
[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 (4E)-2-methyl-4-[(trimethylsilyl)methylene]cyclopentanecarboxylate
CID 5368153
Cyclopentanecarboxylic acid, 2-methyl-4-(trimethylsilyl)methylene-, methyl ester, E,syn-
CID 5368154
Bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate
CID 21030515
Tributylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23136035
[Butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23136036

Frequently Asked Questions

What is the IUPAC name of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate?
The IUPAC name of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate (CID 11021455) is trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate?
The canonical SMILES for trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate is C=C[C@H]1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate?
The InChIKey is CCYKXJCYIQNORZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-11-9-8-10-12(11)13(15)16-17(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1.
What are the key properties of trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate?
trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate has a molecular weight of 254.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-[tert-butyl(dimethyl)silyl] (1R,2R)-2-ethenylcyclopentane-1-carboxylate is sourced from PubChem (CID 11021455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).