[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane

C8H16O2Si — CID 5366448

IUPAC[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/OC)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+
InChIKeySHALBPKEGDBVKK-VOTSOKGWSA-N
MW172.30 g/mol
LogP2.51
Rot. Bonds4

About [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane

[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane (PubChem CID 5366448) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
PubChem CID5366448
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/OC)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+
InChIKeySHALBPKEGDBVKK-VOTSOKGWSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane (CID 5366448) is [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane is C=C(/C=C/OC)O[Si](C)(C)C.
What is the InChIKey of [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
The InChIKey is SHALBPKEGDBVKK-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+.
What are the key properties of [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane?
[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane has a molecular weight of 172.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 5366448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).