4-methoxybuta-1,3-dien-2-yl(trimethyl)silane

C8H16OSi — CID 86613460

IUPAC4-methoxybuta-1,3-dien-2-yl(trimethyl)silane
SMILESC=C(C=COC)[Si](C)(C)C
InChIInChI=1S/C8H16OSi/c1-8(6-7-9-2)10(3,4)5/h6-7H,1H2,2-5H3
InChIKeyIWWDWOYKHMTHSL-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.58
Rot. Bonds3

About 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane

4-methoxybuta-1,3-dien-2-yl(trimethyl)silane (PubChem CID 86613460) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane.

Molecular Properties

Compound Name4-methoxybuta-1,3-dien-2-yl(trimethyl)silane
PubChem CID86613460
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name4-methoxybuta-1,3-dien-2-yl(trimethyl)silane
SMILESC=C(C=COC)[Si](C)(C)C
InChIInChI=1S/C8H16OSi/c1-8(6-7-9-2)10(3,4)5/h6-7H,1H2,2-5H3
InChIKeyIWWDWOYKHMTHSL-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.58
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 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane?
The IUPAC name of 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane (CID 86613460) is 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane.
What is the SMILES notation for 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane?
The canonical SMILES for 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane is C=C(C=COC)[Si](C)(C)C.
What is the InChIKey of 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane?
The InChIKey is IWWDWOYKHMTHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-8(6-7-9-2)10(3,4)5/h6-7H,1H2,2-5H3.
What are the key properties of 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane?
4-methoxybuta-1,3-dien-2-yl(trimethyl)silane has a molecular weight of 156.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybuta-1,3-dien-2-yl(trimethyl)silane is sourced from PubChem (CID 86613460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).