[(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane

C13H24O2Si — CID 102463717

IUPAC[(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
SMILESCOCO[C@H]1CC=C[C@@H]1C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-14-11-15-13-9-5-7-12(13)8-6-10-16(2,3)4/h5-7,10,12-13H,8-9,11H2,1-4H3/b10-6+/t12-,13+/m1/s1
InChIKeyIJAFLMILLZPZIJ-QFPXWBCESA-N
MW240.42 g/mol
LogP3.38
Rot. Bonds6

About [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane

[(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane (PubChem CID 102463717) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
PubChem CID102463717
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name[(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane
SMILESCOCO[C@H]1CC=C[C@@H]1C/C=C/[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-14-11-15-13-9-5-7-12(13)8-6-10-16(2,3)4/h5-7,10,12-13H,8-9,11H2,1-4H3/b10-6+/t12-,13+/m1/s1
InChIKeyIJAFLMILLZPZIJ-QFPXWBCESA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane (CID 102463717) is [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane is COCO[C@H]1CC=C[C@@H]1C/C=C/[Si](C)(C)C.
What is the InChIKey of [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
The InChIKey is IJAFLMILLZPZIJ-QFPXWBCESA-N. The full InChI is InChI=1S/C13H24O2Si/c1-14-11-15-13-9-5-7-12(13)8-6-10-16(2,3)4/h5-7,10,12-13H,8-9,11H2,1-4H3/b10-6+/t12-,13+/m1/s1.
What are the key properties of [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane?
[(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(1S,5S)-5-(methoxymethoxy)cyclopent-2-en-1-yl]prop-1-enyl]-trimethylsilane is sourced from PubChem (CID 102463717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).