buta-1,3-dien-2-yloxy-ethylidene-methylsilane

C7H12OSi — CID 72623772

IUPACbuta-1,3-dien-2-yloxy-ethylidene-methylsilane
SMILESC=CC(=C)O[Si](C)=CC
InChIInChI=1S/C7H12OSi/c1-5-7(3)8-9(4)6-2/h5-6H,1,3H2,2,4H3
InChIKeyZQBSDXBCCDSOBI-UHFFFAOYSA-N
MW140.26 g/mol
LogP1.73
Rot. Bonds3

About buta-1,3-dien-2-yloxy-ethylidene-methylsilane

buta-1,3-dien-2-yloxy-ethylidene-methylsilane (PubChem CID 72623772) has the molecular formula C7H12OSi and a molecular weight of 140.26 g/mol. Its IUPAC name is buta-1,3-dien-2-yloxy-ethylidene-methylsilane.

Molecular Properties

Compound Namebuta-1,3-dien-2-yloxy-ethylidene-methylsilane
PubChem CID72623772
Molecular FormulaC7H12OSi
Molecular Weight140.26 g/mol
Exact Mass140.07
IUPAC Namebuta-1,3-dien-2-yloxy-ethylidene-methylsilane
SMILESC=CC(=C)O[Si](C)=CC
InChIInChI=1S/C7H12OSi/c1-5-7(3)8-9(4)6-2/h5-6H,1,3H2,2,4H3
InChIKeyZQBSDXBCCDSOBI-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-dien-2-yloxy-ethylidene-methylsilane?
The IUPAC name of buta-1,3-dien-2-yloxy-ethylidene-methylsilane (CID 72623772) is buta-1,3-dien-2-yloxy-ethylidene-methylsilane.
What is the SMILES notation for buta-1,3-dien-2-yloxy-ethylidene-methylsilane?
The canonical SMILES for buta-1,3-dien-2-yloxy-ethylidene-methylsilane is C=CC(=C)O[Si](C)=CC.
What is the InChIKey of buta-1,3-dien-2-yloxy-ethylidene-methylsilane?
The InChIKey is ZQBSDXBCCDSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OSi/c1-5-7(3)8-9(4)6-2/h5-6H,1,3H2,2,4H3.
What are the key properties of buta-1,3-dien-2-yloxy-ethylidene-methylsilane?
buta-1,3-dien-2-yloxy-ethylidene-methylsilane has a molecular weight of 140.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dien-2-yloxy-ethylidene-methylsilane is sourced from PubChem (CID 72623772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).