cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate

C16H28O3Si — CID 10979375

IUPACcis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OC)C[C@]1(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-9-11-15(13(17)18-6)12-16(15,10-2)19-20(7,8)14(3,4)5/h9-10H,1-2,11-12H2,3-8H3/t15-,16+/m1/s1
InChIKeyDCJAWVHDAHPRDY-CVEARBPZSA-N
MW296.48 g/mol
LogP4.07
Rot. Bonds6

About cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate

cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate (PubChem CID 10979375) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate
PubChem CID10979375
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Namecis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OC)C[C@]1(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-9-11-15(13(17)18-6)12-16(15,10-2)19-20(7,8)14(3,4)5/h9-10H,1-2,11-12H2,3-8H3/t15-,16+/m1/s1
InChIKeyDCJAWVHDAHPRDY-CVEARBPZSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.07
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)-4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]but-2-enyl]propanedioate
CID 10950262
methyl 1-[(E)-4-bromobut-2-enyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carboxylate
CID 15362855
cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 134874786
cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 134874787
cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 134875046
cis-methyl (1R,2S)-1-[(2E)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 134875067
Methyl 1-prop-2-enyl-2-(trifluoromethyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 102102691
Methyl 1-[2-(bromomethyl)prop-2-enyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopropane-1-carboxylate
CID 10572405
hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate
CID 10629209
cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 10638571
dimethyl 2-[(E)-4-bromobut-2-enyl]-2-[(E)-4-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]but-2-enyl]propanedioate
CID 10674627
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
CID 10781443

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate (CID 10979375) is cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate is C=CC[C@]1(C(=O)OC)C[C@]1(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate?
The InChIKey is DCJAWVHDAHPRDY-CVEARBPZSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-9-11-15(13(17)18-6)12-16(15,10-2)19-20(7,8)14(3,4)5/h9-10H,1-2,11-12H2,3-8H3/t15-,16+/m1/s1.
What are the key properties of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate?
cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate has a molecular weight of 296.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-prop-2-enylcyclopropane-1-carboxylate is sourced from PubChem (CID 10979375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).