[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane

C13H20OSi — CID 174454754

IUPAC[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane
SMILESC[SiH](C)C1(C=C2C=CC=C2)CCCCO1
InChIInChI=1S/C13H20OSi/c1-15(2)13(9-5-6-10-14-13)11-12-7-3-4-8-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyBTQVAUZUJBYKOP-UHFFFAOYSA-N
MW220.39 g/mol
LogP3.00
Rot. Bonds2

About [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane

[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane (PubChem CID 174454754) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane
PubChem CID174454754
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane
SMILESC[SiH](C)C1(C=C2C=CC=C2)CCCCO1
InChIInChI=1S/C13H20OSi/c1-15(2)13(9-5-6-10-14-13)11-12-7-3-4-8-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyBTQVAUZUJBYKOP-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane?
The IUPAC name of [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane (CID 174454754) is [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane.
What is the SMILES notation for [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane?
The canonical SMILES for [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane is C[SiH](C)C1(C=C2C=CC=C2)CCCCO1.
What is the InChIKey of [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane?
The InChIKey is BTQVAUZUJBYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-15(2)13(9-5-6-10-14-13)11-12-7-3-4-8-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3.
What are the key properties of [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane?
[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane has a molecular weight of 220.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-dimethylsilane is sourced from PubChem (CID 174454754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).