4-methoxybuta-1,3-dienoxy(trimethyl)silane

C8H16O2Si — CID 90780285

IUPAC4-methoxybuta-1,3-dienoxy(trimethyl)silane
SMILESCOC=CC=CO[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-9-7-5-6-8-10-11(2,3)4/h5-8H,1-4H3
InChIKeyXSUAUYZAPSOSCJ-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.51
Rot. Bonds4

About 4-methoxybuta-1,3-dienoxy(trimethyl)silane

4-methoxybuta-1,3-dienoxy(trimethyl)silane (PubChem CID 90780285) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 4-methoxybuta-1,3-dienoxy(trimethyl)silane.

Molecular Properties

Compound Name4-methoxybuta-1,3-dienoxy(trimethyl)silane
PubChem CID90780285
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name4-methoxybuta-1,3-dienoxy(trimethyl)silane
SMILESCOC=CC=CO[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-9-7-5-6-8-10-11(2,3)4/h5-8H,1-4H3
InChIKeyXSUAUYZAPSOSCJ-UHFFFAOYSA-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 4-methoxybuta-1,3-dienoxy(trimethyl)silane?
The IUPAC name of 4-methoxybuta-1,3-dienoxy(trimethyl)silane (CID 90780285) is 4-methoxybuta-1,3-dienoxy(trimethyl)silane.
What is the SMILES notation for 4-methoxybuta-1,3-dienoxy(trimethyl)silane?
The canonical SMILES for 4-methoxybuta-1,3-dienoxy(trimethyl)silane is COC=CC=CO[Si](C)(C)C.
What is the InChIKey of 4-methoxybuta-1,3-dienoxy(trimethyl)silane?
The InChIKey is XSUAUYZAPSOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-9-7-5-6-8-10-11(2,3)4/h5-8H,1-4H3.
What are the key properties of 4-methoxybuta-1,3-dienoxy(trimethyl)silane?
4-methoxybuta-1,3-dienoxy(trimethyl)silane 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 4-methoxybuta-1,3-dienoxy(trimethyl)silane is sourced from PubChem (CID 90780285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).