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

C17H32O3Si — CID 10781443

IUPACtrans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@H]1C[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-10-13-11-17(13,14(18)20-15(2,3)4)12-19-21(8,9)16(5,6)7/h10,13H,1,11-12H2,2-9H3/t13-,17-/m0/s1
InChIKeyYYQXVXAQNLLXRQ-GUYCJALGSA-N
MW312.53 g/mol
LogP4.54
Rot. Bonds5

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

trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate (PubChem CID 10781443) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
PubChem CID10781443
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametrans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@H]1C[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-10-13-11-17(13,14(18)20-15(2,3)4)12-19-21(8,9)16(5,6)7/h10,13H,1,11-12H2,2-9H3/t13-,17-/m0/s1
InChIKeyYYQXVXAQNLLXRQ-GUYCJALGSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143484
tert-butyl (E)-2-acetyl-5-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]pent-4-enoate
CID 135031905
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate
CID 10523079
cis-ethyl (1R,3S)-2,2-dimethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 10538044
cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate
CID 10979375
tert-butyl (1S,2S,3S)-1-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-ethoxy-3-methylcyclopropane-1-carboxylate
CID 11046515
trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
CID 11602062
ethyl (3S,4R)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
CID 12167547
trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methylcyclopropane-1-carboxylate
CID 21598257
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methylcyclopropane-1-carboxylate
CID 73812033
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate
CID 85353813
Ethyl 2-ethenyl-2-(trimethylsilylmethyl)cyclopropane-1-carboxylate
CID 92002215

Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate (CID 10781443) is trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate is C=C[C@H]1C[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate?
The InChIKey is YYQXVXAQNLLXRQ-GUYCJALGSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-10-13-11-17(13,14(18)20-15(2,3)4)12-19-21(8,9)16(5,6)7/h10,13H,1,11-12H2,2-9H3/t13-,17-/m0/s1.
What are the key properties of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate?
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate has a molecular weight of 312.53 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 10781443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).