[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane

C14H26O2Si — CID 11128883

IUPAC[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane
SMILESC=C[C@H]1CC[C@@H](/C=C/[Si](C)(C)C)[C@H]1OCOC
InChIInChI=1S/C14H26O2Si/c1-6-12-7-8-13(9-10-17(3,4)5)14(12)16-11-15-2/h6,9-10,12-14H,1,7-8,11H2,2-5H3/b10-9+/t12-,13-,14-/m0/s1
InChIKeyQMXAPXNWDOWYDI-VLASHDBSSA-N
MW254.45 g/mol
LogP3.62
Rot. Bonds6

About [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane

[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane (PubChem CID 11128883) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane
PubChem CID11128883
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane
SMILESC=C[C@H]1CC[C@@H](/C=C/[Si](C)(C)C)[C@H]1OCOC
InChIInChI=1S/C14H26O2Si/c1-6-12-7-8-13(9-10-17(3,4)5)14(12)16-11-15-2/h6,9-10,12-14H,1,7-8,11H2,2-5H3/b10-9+/t12-,13-,14-/m0/s1
InChIKeyQMXAPXNWDOWYDI-VLASHDBSSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.62
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)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane?
The IUPAC name of [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane (CID 11128883) is [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane?
The canonical SMILES for [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane is C=C[C@H]1CC[C@@H](/C=C/[Si](C)(C)C)[C@H]1OCOC.
What is the InChIKey of [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane?
The InChIKey is QMXAPXNWDOWYDI-VLASHDBSSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-12-7-8-13(9-10-17(3,4)5)14(12)16-11-15-2/h6,9-10,12-14H,1,7-8,11H2,2-5H3/b10-9+/t12-,13-,14-/m0/s1.
What are the key properties of [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane?
[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]-trimethylsilane is sourced from PubChem (CID 11128883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).