[(Z)-1-trimethylsilylbut-2-en-2-yl] formate

C8H16O2Si — CID 172998389

IUPAC[(Z)-1-trimethylsilylbut-2-en-2-yl] formate
SMILESC/C=C(/C[Si](C)(C)C)OC=O
InChIInChI=1S/C8H16O2Si/c1-5-8(10-7-9)6-11(2,3)4/h5,7H,6H2,1-4H3/b8-5-
InChIKeyYJCMUKJXFABBAQ-YVMONPNESA-N
MW172.30 g/mol
LogP2.40
Rot. Bonds4

About [(Z)-1-trimethylsilylbut-2-en-2-yl] formate

[(Z)-1-trimethylsilylbut-2-en-2-yl] formate (PubChem CID 172998389) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is [(Z)-1-trimethylsilylbut-2-en-2-yl] formate.

Molecular Properties

Compound Name[(Z)-1-trimethylsilylbut-2-en-2-yl] formate
PubChem CID172998389
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name[(Z)-1-trimethylsilylbut-2-en-2-yl] formate
SMILESC/C=C(/C[Si](C)(C)C)OC=O
InChIInChI=1S/C8H16O2Si/c1-5-8(10-7-9)6-11(2,3)4/h5,7H,6H2,1-4H3/b8-5-
InChIKeyYJCMUKJXFABBAQ-YVMONPNESA-N
XLogP2.40
TPSA26.30 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 ≤ 52.40
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 [(Z)-1-trimethylsilylbut-2-en-2-yl] formate?
The IUPAC name of [(Z)-1-trimethylsilylbut-2-en-2-yl] formate (CID 172998389) is [(Z)-1-trimethylsilylbut-2-en-2-yl] formate.
What is the SMILES notation for [(Z)-1-trimethylsilylbut-2-en-2-yl] formate?
The canonical SMILES for [(Z)-1-trimethylsilylbut-2-en-2-yl] formate is C/C=C(/C[Si](C)(C)C)OC=O.
What is the InChIKey of [(Z)-1-trimethylsilylbut-2-en-2-yl] formate?
The InChIKey is YJCMUKJXFABBAQ-YVMONPNESA-N. The full InChI is InChI=1S/C8H16O2Si/c1-5-8(10-7-9)6-11(2,3)4/h5,7H,6H2,1-4H3/b8-5-.
What are the key properties of [(Z)-1-trimethylsilylbut-2-en-2-yl] formate?
[(Z)-1-trimethylsilylbut-2-en-2-yl] formate has a molecular weight of 172.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-trimethylsilylbut-2-en-2-yl] formate is sourced from PubChem (CID 172998389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).