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

C17H28O3Si — CID 134874787

IUPACcis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C(C)=C/C[C@@]1(C(=O)OC)C[C@]1(O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C17H28O3Si/c1-9-14(4)10-11-16(15(18)19-5)12-17(16,13(2)3)20-21(6,7)8/h9-10H,1-2,11-12H2,3-8H3/b14-10+/t16-,17-/m0/s1
InChIKeyPREJTEKUFIIOAX-ONPHEMOESA-N
MW308.49 g/mol
LogP4.24
Rot. Bonds7

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

cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 134874787) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID134874787
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Namecis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC=C/C(C)=C/C[C@@]1(C(=O)OC)C[C@]1(O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C17H28O3Si/c1-9-14(4)10-11-16(15(18)19-5)12-17(16,13(2)3)20-21(6,7)8/h9-10H,1-2,11-12H2,3-8H3/b14-10+/t16-,17-/m0/s1
InChIKeyPREJTEKUFIIOAX-ONPHEMOESA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.24
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-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 134874787) is cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate is C=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-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is PREJTEKUFIIOAX-ONPHEMOESA-N. The full InChI is InChI=1S/C17H28O3Si/c1-9-14(4)10-11-16(15(18)19-5)12-17(16,13(2)3)20-21(6,7)8/h9-10H,1-2,11-12H2,3-8H3/b14-10+/t16-,17-/m0/s1.
What are the key properties of cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate?
cis-methyl (1R,2S)-1-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 308.49 g/mol, XLogP of 4.24, 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-[(2E)-3-methylpenta-2,4-dienyl]-2-prop-1-en-2-yl-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 134874787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).