cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate

C15H24O3Si — CID 134875046

IUPACcis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C=C/C[C@@]1(C(=O)OC)C[C@@]1(C=C)O[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-7-9-10-11-14(13(16)17-3)12-15(14,8-2)18-19(4,5)6/h7-10H,1-2,11-12H2,3-6H3/b10-9+/t14-,15+/m0/s1
InChIKeyOACNVDORDKYVOT-LWLVDVGCSA-N
MW280.44 g/mol
LogP3.46
Rot. Bonds7

About cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate

cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 134875046) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID134875046
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Namecis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C=C/C[C@@]1(C(=O)OC)C[C@@]1(C=C)O[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-7-9-10-11-14(13(16)17-3)12-15(14,8-2)18-19(4,5)6/h7-10H,1-2,11-12H2,3-6H3/b10-9+/t14-,15+/m0/s1
InChIKeyOACNVDORDKYVOT-LWLVDVGCSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.46
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 134875046) is cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate is C=C/C=C/C[C@@]1(C(=O)OC)C[C@@]1(C=C)O[Si](C)(C)C.
What is the InChIKey of cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is OACNVDORDKYVOT-LWLVDVGCSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-7-9-10-11-14(13(16)17-3)12-15(14,8-2)18-19(4,5)6/h7-10H,1-2,11-12H2,3-6H3/b10-9+/t14-,15+/m0/s1.
What are the key properties of cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 280.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-penta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 134875046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).