4-trimethylsilylbut-1-enyl formate

C8H16O2Si — CID 57154095

IUPAC4-trimethylsilylbut-1-enyl formate
SMILESC[Si](C)(C)CCC=COC=O
InChIInChI=1S/C8H16O2Si/c1-11(2,3)7-5-4-6-10-8-9/h4,6,8H,5,7H2,1-3H3
InChIKeyYLVFQVGHPCPJFC-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.40
Rot. Bonds5

About 4-trimethylsilylbut-1-enyl formate

4-trimethylsilylbut-1-enyl formate (PubChem CID 57154095) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 4-trimethylsilylbut-1-enyl formate.

Molecular Properties

Compound Name4-trimethylsilylbut-1-enyl formate
PubChem CID57154095
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name4-trimethylsilylbut-1-enyl formate
SMILESC[Si](C)(C)CCC=COC=O
InChIInChI=1S/C8H16O2Si/c1-11(2,3)7-5-4-6-10-8-9/h4,6,8H,5,7H2,1-3H3
InChIKeyYLVFQVGHPCPJFC-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylbut-1-enyl formate?
The IUPAC name of 4-trimethylsilylbut-1-enyl formate (CID 57154095) is 4-trimethylsilylbut-1-enyl formate.
What is the SMILES notation for 4-trimethylsilylbut-1-enyl formate?
The canonical SMILES for 4-trimethylsilylbut-1-enyl formate is C[Si](C)(C)CCC=COC=O.
What is the InChIKey of 4-trimethylsilylbut-1-enyl formate?
The InChIKey is YLVFQVGHPCPJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-11(2,3)7-5-4-6-10-8-9/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 4-trimethylsilylbut-1-enyl formate?
4-trimethylsilylbut-1-enyl formate has a molecular weight of 172.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbut-1-enyl formate is sourced from PubChem (CID 57154095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).