cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate

C16H26O3Si — CID 23257943

IUPACcis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C=C\C[C@@]1(C(=O)OC)C[C@]1(O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C16H26O3Si/c1-8-9-10-11-15(14(17)18-4)12-16(15,13(2)3)19-20(5,6)7/h8-10H,1-2,11-12H2,3-7H3/b10-9-/t15-,16-/m0/s1
InChIKeyIFLRMMQOELXBQQ-VNEPOGMYSA-N
MW294.47 g/mol
LogP3.85
Rot. Bonds7

About cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate

cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 23257943) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID23257943
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Namecis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C=C\C[C@@]1(C(=O)OC)C[C@]1(O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C16H26O3Si/c1-8-9-10-11-15(14(17)18-4)12-16(15,13(2)3)19-20(5,6)7/h8-10H,1-2,11-12H2,3-7H3/b10-9-/t15-,16-/m0/s1
InChIKeyIFLRMMQOELXBQQ-VNEPOGMYSA-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)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 23257943) is cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate is C=C/C=C\C[C@@]1(C(=O)OC)C[C@]1(O[Si](C)(C)C)C(=C)C.
What is the InChIKey of cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is IFLRMMQOELXBQQ-VNEPOGMYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-8-9-10-11-15(14(17)18-4)12-16(15,13(2)3)19-20(5,6)7/h8-10H,1-2,11-12H2,3-7H3/b10-9-/t15-,16-/m0/s1.
What are the key properties of cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
cis-methyl (1R,2S)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-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)-1-[(2Z)-penta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 23257943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).