3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane

C13H22OSi — CID 173225933

IUPAC3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane
SMILESCC=C1C=CC(CCCO[Si](C)(C)C)=C1
InChIInChI=1S/C13H22OSi/c1-5-12-8-9-13(11-12)7-6-10-14-15(2,3)4/h5,8-9,11H,6-7,10H2,1-4H3
InChIKeyBQWLMNHOUYGXHY-UHFFFAOYSA-N
MW222.40 g/mol
LogP4.06
Rot. Bonds5

About 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane

3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane (PubChem CID 173225933) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane.

Molecular Properties

Compound Name3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane
PubChem CID173225933
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane
SMILESCC=C1C=CC(CCCO[Si](C)(C)C)=C1
InChIInChI=1S/C13H22OSi/c1-5-12-8-9-13(11-12)7-6-10-14-15(2,3)4/h5,8-9,11H,6-7,10H2,1-4H3
InChIKeyBQWLMNHOUYGXHY-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane?
The IUPAC name of 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane (CID 173225933) is 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane.
What is the SMILES notation for 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane?
The canonical SMILES for 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane is CC=C1C=CC(CCCO[Si](C)(C)C)=C1.
What is the InChIKey of 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane?
The InChIKey is BQWLMNHOUYGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-5-12-8-9-13(11-12)7-6-10-14-15(2,3)4/h5,8-9,11H,6-7,10H2,1-4H3.
What are the key properties of 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane?
3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylidenecyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane is sourced from PubChem (CID 173225933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).