cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate

C16H26O3Si — CID 134874786

IUPACcis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C(C)=C/C[C@@]1(C(=O)OC)C[C@@]1(C=C)O[Si](C)(C)C
InChIInChI=1S/C16H26O3Si/c1-8-13(3)10-11-15(14(17)18-4)12-16(15,9-2)19-20(5,6)7/h8-10H,1-2,11-12H2,3-7H3/b13-10+/t15-,16+/m0/s1
InChIKeySGIXHHONNAOEDD-LSALWYQZSA-N
MW294.47 g/mol
LogP3.85
Rot. Bonds7

About cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate

cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 134874786) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID134874786
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Namecis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C(C)=C/C[C@@]1(C(=O)OC)C[C@@]1(C=C)O[Si](C)(C)C
InChIInChI=1S/C16H26O3Si/c1-8-13(3)10-11-15(14(17)18-4)12-16(15,9-2)19-20(5,6)7/h8-10H,1-2,11-12H2,3-7H3/b13-10+/t15-,16+/m0/s1
InChIKeySGIXHHONNAOEDD-LSALWYQZSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.85
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'}

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 134874786) is cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate is C=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)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is SGIXHHONNAOEDD-LSALWYQZSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-8-13(3)10-11-15(14(17)18-4)12-16(15,9-2)19-20(5,6)7/h8-10H,1-2,11-12H2,3-7H3/b13-10+/t15-,16+/m0/s1.
What are the key properties of cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-ethenyl-1-[(2E)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 294.47 g/mol, XLogP of 3.85, 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)-3-methylpenta-2,4-dienyl]-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 134874786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).